data_2cqm_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2cqm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 1.4 tm? . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.99 -40.15 88.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -61.29 -42.89 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -65.87 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.25 -44.47 88.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.512 HD11 ' CE3' ' A' ' 79' ' ' TRP . 55.5 mt -63.24 -44.1 96.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 85' ' ' LEU . 30.6 m -66.05 -43.61 86.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.46 84.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.5 tp -61.64 -48.2 81.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.31 -41.17 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -55.88 -51.93 65.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.1 m-70 -103.08 12.85 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' LEU . 70.6 mt-10 40.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -175.97 131.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 36' ' ' LEU . 29.0 pt -145.8 159.13 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -109.26 120.79 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.58 161.08 31.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.551 0.691 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.436 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.1 Cg_endo -69.83 173.88 10.39 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.524 ' CD2' ' HE3' ' A' ' 107' ' ' MET . 4.1 t-105 -61.45 -47.58 85.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.5 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.18 -37.51 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 92.1 t -65.14 -47.35 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.33 -48.66 74.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.96 -46.04 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -70.44 -32.96 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 64.6 ttt180 -61.8 -44.8 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.25 99.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.747 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.2 m-85 -71.97 -43.81 64.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 110.916 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.37 95.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.24 -48.98 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 19.1 tptt -60.62 -39.25 87.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.415 ' CD1' HD12 ' A' ' 89' ' ' LEU . 41.1 mm -62.08 -42.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.17 -43.47 82.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 32.4 m-85 -69.09 -39.8 78.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -35.92 88.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.95 -30.77 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.02 -33.52 75.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.05 172.67 19.1 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -80.87 41.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -111.28 -30.5 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -86.46 131.96 34.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.88 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -60.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.48 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.0 mmt -66.22 -49.17 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -62.89 -36.89 84.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 10.5 mtp -65.97 -45.01 83.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.7 83.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 36.1 t0 -72.06 -36.97 69.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -72.84 -43.72 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.747 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.9 m95 -80.21 -48.1 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.68 124.31 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.5 p -83.83 -45.66 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -41.7 102.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtm -58.07 -19.37 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 15.4 t70 -89.23 -31.01 18.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 34' ' ' THR . 19.9 mt -75.02 -29.81 60.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.592 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 33.4 mt -59.88 -53.94 60.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.092 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.8 -41.17 4.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' CG ' HG21 ' A' ' 92' ' ' VAL . 26.7 tttp -60.6 -45.99 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -56.44 -36.43 69.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -81.05 -19.89 42.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -111.97 13.96 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 88' ' ' LYS . 33.6 t -131.32 -72.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 89' ' ' LEU . 24.0 mt -76.21 -43.36 42.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.74 -56.53 8.44 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.7 Cg_endo -69.83 -35.02 13.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.1 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 38.8 m-85 -88.3 -31.09 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.522 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.8 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.959 0.409 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 125' ' ' TYR . 69.7 p -106.34 164.91 11.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -136.32 135.79 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.524 ' HE3' ' CD2' ' A' ' 46' ' ' TRP . 2.7 ttt -104.48 134.02 48.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.83 149.2 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -97.91 136.83 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 122' ' ' VAL . 26.0 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.6 mmm . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.64 156.42 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.409 HG22 ' CG2' ' A' ' 110' ' ' ILE . 66.7 t -114.29 131.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 12.2 tt -117.09 139.78 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -150.72 142.02 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.557 ' CD1' HG23 ' A' ' 105' ' ' THR . 9.5 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 55' ' ' TYR . 9.5 tp -64.64 -45.41 86.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -60.12 -41.59 92.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -67.91 -32.25 72.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.5 mt -65.11 -44.69 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.76 -44.28 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.93 81.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.6 tp -60.0 -47.67 84.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.5 -40.47 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.61 -52.11 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 13.4 m-70 -102.88 11.31 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.2 mt-10 39.8 25.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.555 HH21 ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -176.97 130.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.452 ' N ' ' HE ' ' A' ' 41' ' ' ARG . 20.2 pt -146.4 159.7 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.555 ' N ' HH21 ' A' ' 41' ' ' ARG . 18.5 tt0 -102.56 118.81 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.1 160.9 31.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 54.3 Cg_endo -69.79 171.26 14.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.2 t-105 -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.46 96.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 11.8 mmm-85 -76.41 -34.77 58.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 53.5 t -64.95 -53.19 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.22 -48.43 78.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.76 -45.9 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.443 ' CE ' HD21 ' A' ' 36' ' ' LEU . 14.9 ptm -71.0 -33.42 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -56.48 -45.62 80.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.38 -43.57 99.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.588 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 51.5 m-85 -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.91 78.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.39 -48.06 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.2 tppp? -61.28 -41.31 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.4 tp -57.51 -46.9 83.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.41 HG22 ' CD2' ' A' ' 97' ' ' TYR . 37.9 mm -61.76 -40.03 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.55 -41.49 85.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 38.3 m-85 -70.14 -40.42 74.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.46 90.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.09 -30.55 59.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.98 -33.7 76.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.33 170.34 20.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -81.02 41.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -110.58 -26.28 9.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -93.33 121.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.47 -34.85 67.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.21 -41.93 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.09 86.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 79.9 mmm -70.83 -49.04 50.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.52 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -44.66 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.54 72.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.14 -37.81 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.44 -43.38 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.53 -48.04 13.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.55 117.92 34.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -80.58 -36.67 32.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -52.64 107.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtt -62.43 -22.85 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 10.5 t0 -86.19 -28.24 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.37 -34.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.574 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 24.8 mt -56.17 -54.34 53.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.737 . . . . 0.0 111.197 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.77 -41.16 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -47.5 86.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.2 tp -59.43 -34.79 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.7 -19.57 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -111.68 8.98 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.419 HG12 ' CD2' ' A' ' 93' ' ' LEU . 25.0 t -127.37 -73.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 89' ' ' LEU . 15.7 mt -73.24 -43.51 61.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.03 -56.34 10.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 111.135 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 52.7 Cg_endo -69.84 -36.61 10.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.296 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -62.61 -37.02 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 30.5 m-85 -89.39 -35.47 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' TYR . 35.4 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.8 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.963 0.411 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.571 HG23 ' CE1' ' A' ' 125' ' ' TYR . 82.1 p -106.05 157.42 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -132.22 141.82 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.514 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 1.9 ttt -110.82 142.12 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.0 tp -135.25 146.89 49.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -95.8 143.06 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 122' ' ' VAL . 28.3 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 85.0 mmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.774 0.321 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -141.43 160.91 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 110' ' ' ILE . 96.8 t -115.96 135.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.59 131.0 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.05 147.78 27.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 105' ' ' THR . 46.4 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.517 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -60.04 -41.57 92.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.12 -33.58 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.49 -44.67 93.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.05 -44.53 84.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 m -64.05 -46.83 82.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.42 -36.77 84.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.6 tp -59.83 -47.17 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.63 -41.62 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.0 m-70 -99.75 10.65 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 38.6 25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.8 ttt85 -177.91 131.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.2 pt -146.94 158.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 32.1 tt0 -107.82 119.91 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.98 161.63 29.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.581 0.705 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 173.97 10.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 2.8 t-105 -61.91 -40.4 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.71 96.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.2 mpt_? -76.39 -43.16 41.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 t -59.05 -52.98 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -62.11 -48.88 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.425 ' HE2' ' CD2' ' A' ' 36' ' ' LEU . 12.9 ptm -71.23 -33.11 69.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -55.61 -48.31 75.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.62 99.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.2 m-85 -68.56 -37.42 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -61.84 -49.54 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.36 -40.53 97.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.31 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 mm -58.39 -38.21 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -57.67 -44.09 85.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 45.1 m-85 -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.524 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.99 -35.74 88.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.85 -30.7 58.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.297 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.2 -27.52 68.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.61 177.42 29.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -82.4 38.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.8 p -110.35 -37.2 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -77.67 112.0 14.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.74 -48.64 69.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.79 -40.65 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -45.65 83.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.506 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 8.8 mmt -69.39 -38.45 77.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -56.36 -51.39 68.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.401 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 9.8 ttt -66.98 -45.07 78.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.53 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 17.1 t0 -70.58 -38.78 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -62.8 -41.85 99.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.581 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 66.0 m95 -80.76 -47.77 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 89' ' ' LEU . 95.6 mt -97.2 111.55 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -82.77 -17.16 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.62 98.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -54.16 -14.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 29.8 t70 -90.35 -33.49 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.24 -30.25 60.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.595 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 24.1 mt -60.08 -53.87 60.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.75 -41.27 4.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 27.5 tttt -65.16 -46.51 80.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.0 tp -55.98 -35.16 66.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 6.7 m-85 -78.76 -22.4 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -111.89 12.42 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 29.0 t -128.13 -71.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 89' ' ' LEU . 36.0 mt -76.41 -42.69 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.553 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -45.85 -56.2 10.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.542 0.687 . . . . 0.0 111.186 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.81 -22.89 31.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -74.93 -43.27 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 98' ' ' LYS . 31.9 m-85 -87.01 -42.36 13.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 17.9 tptp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.411 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.2 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.954 0.407 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.568 HG21 ' CE1' ' A' ' 125' ' ' TYR . 82.7 p -107.88 161.8 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -134.01 140.13 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.461 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 1.9 ttt -109.97 131.17 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.7 tp -122.55 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.17 129.73 39.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.465 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 85.1 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.7 0.286 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.6 156.8 42.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.411 HG12 ' NH1' ' A' ' 41' ' ' ARG . 93.0 t -118.2 130.11 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.7 tt -115.63 137.13 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -149.49 145.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 105' ' ' THR . 25.5 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.17 -46.78 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 20.4 mtp180 -59.77 -43.75 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.37 -32.31 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.47 -45.01 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -65.35 -44.85 86.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' CD1' ' A' ' 85' ' ' LEU . 19.3 m -62.9 -47.85 81.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.13 91.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.4 tp -59.33 -47.76 84.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.76 -40.22 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -57.92 -52.72 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -102.22 13.6 34.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.3 mt-10 39.45 25.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' HIS . 16.1 ttt180 -179.44 131.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 HD11 ' CE ' ' A' ' 52' ' ' MET . 6.4 pt -146.55 159.69 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -106.45 122.26 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 121' ' ' ALA . . . -150.9 161.83 28.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.4 Cg_endo -69.77 173.37 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.517 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.8 t-105 -62.3 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.4 mpt_? -76.43 -39.05 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 92.6 t -62.53 -52.64 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.38 -48.93 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.74 -46.07 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.471 ' CE ' HD11 ' A' ' 42' ' ' ILE . 16.3 ptm -71.25 -32.88 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -57.21 -47.34 81.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.46 99.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.781 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 55.0 m-85 -70.45 -36.18 73.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.0 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.62 -48.97 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 10.7 tppt? -60.93 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.63 -50.28 74.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.1 mm -57.93 -42.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.78 -43.97 85.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 26.6 m-85 -60.93 -45.58 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.75 -37.13 91.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -54.9 -30.05 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.26 -39.13 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.72 162.89 9.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.52 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 p30 -84.35 -26.07 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -68.16 -27.08 66.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.73 119.55 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.65 -40.43 95.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -57.73 -45.42 85.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.73 85.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt -60.64 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -62.25 -44.19 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.55 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 6.6 tpt -64.2 -45.16 89.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.5 82.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 8.9 t70 -72.08 -38.35 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 28.6 t80 -65.76 -42.5 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.781 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.8 m95 -81.11 -48.13 12.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' A' ' 89' ' ' LEU . 33.9 mt -97.25 130.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -88.79 -42.63 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 112.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.468 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.5 mmtt -63.48 -22.0 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 19.6 m-20 -85.42 -30.84 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 34' ' ' THR . 24.1 mt -74.4 -30.95 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 33.5 mt -57.22 -54.59 53.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.71 -41.27 4.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.525 ' CG ' ' CG2' ' A' ' 92' ' ' VAL . 39.7 tttt -61.09 -44.66 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 93' ' ' LEU . 12.3 tp -54.88 -34.27 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 67' ' ' ASP . 5.2 m-85 -80.66 -23.58 39.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.38 17.42 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.525 ' CG2' ' CG ' ' A' ' 88' ' ' LYS . 20.4 t -130.34 -68.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 89' ' ' LEU . 47.8 mt -82.57 -40.7 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.544 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.84 -56.86 7.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.72 -36.16 11.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -65.29 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.83 -31.38 13.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 tttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -114.78 163.34 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -139.67 141.97 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.517 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 3.2 ttt -111.43 132.1 54.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -117.32 152.49 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.5 132.52 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.444 HD13 ' CG2' ' A' ' 122' ' ' VAL . 16.0 pt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.754 0.312 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -148.54 160.41 43.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.444 ' CG2' HD13 ' A' ' 110' ' ' ILE . 73.8 t -119.51 123.87 71.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.6 tt -114.27 134.63 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -149.86 148.23 28.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.11 -43.08 99.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 23.4 mtp180 -59.9 -42.49 93.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -68.21 -34.48 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.78 -45.9 90.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 79' ' ' TRP . 46.9 mt -65.22 -44.5 88.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -65.9 -44.18 86.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.68 80.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.7 tp -61.09 -48.62 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.04 -40.72 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -57.67 -52.04 67.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.0 m-70 -101.8 13.09 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 mt-10 39.85 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 40.8 ttt180 -177.66 131.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 pt -143.32 159.04 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -110.72 118.81 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.18 161.29 30.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 172.89 11.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.446 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 2.9 t-105 -61.82 -39.52 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.98 99.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -76.29 -37.73 57.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 47.4 t -65.55 -46.92 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -64.27 -48.71 74.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.01 -46.22 82.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.64 -32.71 70.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 38.1 ttt180 -61.24 -44.43 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.7 -43.38 99.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.797 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 58.4 m-85 -69.47 -36.86 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.65 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.01 -48.98 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -60.48 -40.56 91.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.0 -43.45 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.12 -42.09 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.19 -44.81 83.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.15 -41.89 96.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -35.93 88.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -55.93 -30.74 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.75 -32.09 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.26 166.93 21.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.42 42.52 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -112.67 -21.57 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -97.88 123.73 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.73 -36.82 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -61.5 -40.66 95.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.43 88.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.2 mmm -68.54 -49.24 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -63.24 -39.67 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.418 ' HE1' ' NE1' ' A' ' 79' ' ' TRP . 7.6 tpt -66.21 -42.76 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.9 70.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -71.95 -35.32 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.495 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 41.3 t80 -68.84 -44.03 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.797 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.6 m95 -81.18 -48.31 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 89' ' ' LEU . 52.3 mt -97.23 104.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.6 p -69.25 -35.2 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.02 110.41 0.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 30.6 mmtt -62.91 -24.99 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 17.9 t0 -82.78 -31.1 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 22.8 mt -55.24 -55.4 39.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.8 Cg_endo -69.82 -41.17 4.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 11.0 ttpt -60.92 -47.87 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.0 tp -56.85 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -81.27 -18.94 44.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -110.6 10.04 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 66.2 t -132.63 -74.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 89' ' ' LEU . 30.0 mt -68.5 -40.64 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.542 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -52.0 -56.83 18.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.81 -39.89 5.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.366 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.21 -47.94 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.408 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . 56.7 m-85 -97.36 37.09 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 97' ' ' TYR . 5.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.978 0.418 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 70.9 p -106.31 160.45 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -132.56 140.72 48.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.446 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 2.4 ttt -105.77 136.82 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.1 tp -128.97 147.54 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -102.98 121.41 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 122' ' ' VAL . 19.9 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.8 mmm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.97 160.3 44.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 110' ' ' ILE . 83.6 t -124.85 131.95 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.8 tt -119.81 133.13 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 154.92 38.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.912 0.387 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 79' ' ' TRP . 0.4 OUTLIER -59.0 -46.65 87.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.96 -42.92 97.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -69.46 -31.02 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt -70.12 -41.89 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 82.8 mt -65.59 -44.75 85.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 85' ' ' LEU . 8.9 m -65.82 -48.12 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.57 -36.19 76.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.8 tp -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' CG1' ' HZ3' ' A' ' 88' ' ' LYS . 56.7 t -66.89 -40.58 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.26 -52.38 65.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.0 m-70 -100.23 9.53 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LEU . 30.6 mt-10 39.53 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 27.7 ttp180 -178.0 130.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 5.1 pt -147.91 160.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.05 119.16 38.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.97 161.54 30.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 52.7 Cg_endo -69.86 170.75 15.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.611 2.207 . . . . 0.0 112.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -61.09 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.68 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.1 mmt85 -76.62 -34.87 58.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.1 -51.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.37 -48.6 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.09 -45.51 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 42' ' ' ILE . 21.2 ptm -70.67 -33.04 70.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.5 -46.6 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.72 -43.21 99.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 56.2 m-85 -69.99 -40.1 75.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.81 84.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -48.86 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -62.22 -40.12 95.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.09 -48.64 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.19 -41.97 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -56.36 -42.79 78.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 28.3 m-85 -70.53 -38.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.09 82.91 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -53.65 -31.22 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 15.0 mt -66.21 -32.89 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.51 176.91 21.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.44 39.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -115.0 -27.13 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 16.5 m-80 -82.4 133.52 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.83 -48.0 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -57.88 -39.38 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.43 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.5 mmt -70.18 -49.3 51.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -59.13 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mtp -58.91 -43.53 91.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.0 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -72.0 -41.78 67.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.4 -43.44 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.681 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 22.4 m95 -76.35 -47.59 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 89' ' ' LEU . 33.4 mt -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.006 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -77.68 -33.01 53.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.39 112.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 9.5 mmpt? -63.13 -20.42 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.2 m-20 -88.3 -28.1 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 34' ' ' THR . 19.4 mt -75.22 -33.2 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.586 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -58.18 -53.68 63.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.19 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.84 -41.05 4.51 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.625 2.216 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 93' ' ' LEU . 12.0 tp -55.88 -34.77 65.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.83 -19.78 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -111.66 11.95 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.49 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 14.3 t -131.33 -74.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 89' ' ' LEU . 27.6 mt -72.56 -41.9 65.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.554 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -47.96 -56.32 14.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.77 -34.15 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.382 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -64.74 -39.6 93.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.57 39.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.4 p -106.01 165.64 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -127.19 140.77 52.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.4 ttt -105.63 125.7 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 tp -114.99 143.25 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.67 140.17 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.0 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.42 156.32 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.404 HG12 ' CD ' ' A' ' 124' ' ' GLU . 79.5 t -117.63 134.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.9 tt -117.66 137.03 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.404 ' CD ' HG12 ' A' ' 122' ' ' VAL . 2.3 mp0 -145.27 154.37 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 29' ' ' LEU . 2.4 tt -59.21 -48.06 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -60.57 -39.78 89.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.31 -34.63 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.44 -45.97 81.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.77 -44.98 94.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -67.65 -44.99 76.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.21 -36.56 79.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -61.28 -48.42 81.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.9 -40.78 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.97 -52.31 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' ARG . 15.9 m-70 -102.63 11.52 37.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.0 mp0 39.99 25.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.0 ttt180 -176.9 131.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' CG2' ' A' ' 123' ' ' ILE . 16.7 pt -146.64 159.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 35.4 tt0 -106.55 120.61 42.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 121' ' ' ALA . . . -151.09 160.91 31.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 53.9 Cg_endo -69.77 170.26 16.99 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.609 2.206 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 11.5 t-105 -62.22 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.39 93.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 15.5 mmm-85 -76.52 -38.45 55.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG11 ' CE ' ' A' ' 107' ' ' MET . 29.4 t -63.06 -49.55 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.93 -49.15 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.88 -46.92 87.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 52' ' ' MET . 3.0 ppp? -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -58.04 -42.46 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -44.0 98.55 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.5 m-85 -67.17 -43.89 81.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.26 91.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.99 -49.25 78.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -59.56 -42.15 91.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.04 -49.19 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.15 -39.81 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.69 -45.18 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.24 -39.23 89.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 -34.96 86.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.63 -30.08 41.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.67 168.43 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -79.55 43.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.3 p -116.29 -36.82 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -77.29 125.17 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.1 -43.85 82.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -57.16 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.17 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 3.6 mmt -68.22 -49.43 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -63.96 -44.94 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.46 ' HE3' ' NE1' ' A' ' 79' ' ' TRP . 6.9 tpt -58.7 -44.66 90.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.39 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.42 -34.73 68.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.15 -44.09 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 88.8 m95 -80.99 -47.17 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 89' ' ' LEU . 22.4 mt -97.64 109.41 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.7 p -72.4 -38.25 68.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.78 107.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 32.4 mmtp -61.15 -22.84 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.436 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.7 t0 -83.7 -30.65 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.38 -31.63 64.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.558 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -55.62 -55.12 43.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.185 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 80' ' ' LEU . 12.6 tp -59.04 -34.99 72.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -81.29 -19.42 42.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.49 11.98 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 39.2 t -130.79 -73.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 89' ' ' LEU . 41.4 mt -72.94 -44.91 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.549 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.93 -56.64 8.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.77 -25.88 28.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.618 2.212 . . . . 0.0 112.358 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -69.88 -42.18 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.12 39.07 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.954 0.407 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 47.8 p -105.92 145.03 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -116.02 139.22 50.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.529 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 2.6 ttm -104.56 125.95 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 tp -112.48 144.6 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -104.34 136.05 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.65 0.738 . . . . 0.0 111.18 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.437 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 88.4 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -150.33 160.63 43.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.88 132.27 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.408 ' CG2' HG13 ' A' ' 42' ' ' ILE . 14.5 tt -112.97 137.4 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -151.11 142.63 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.33 -47.43 86.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -59.69 -43.12 94.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.44 -32.03 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.61 -46.21 86.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 31.1 mt -65.34 -44.59 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 85' ' ' LEU . 29.2 m -65.23 -44.65 87.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.07 -36.83 81.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 125' ' ' TYR . 9.9 tp -60.28 -48.29 82.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.41 -40.61 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -57.95 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.4 m-70 -101.57 13.29 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.6 mt-10 39.75 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -176.71 131.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' HA ' ' A' ' 36' ' ' LEU . 31.2 pt -145.74 159.36 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -113.76 123.48 49.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.08 160.91 31.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' CG ' ' HE ' ' A' ' 48' ' ' ARG . 53.2 Cg_endo -69.78 174.24 9.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 2.2 t-105 -62.33 -40.14 95.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.417 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -76.71 -36.32 57.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.16 -50.19 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.55 -46.5 88.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -70.93 -33.53 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -57.45 -48.96 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.666 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 43.4 m-85 -67.97 -39.21 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.27 99.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.72 -49.2 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 5.8 tppt? -60.47 -38.33 83.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.54 -49.16 78.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.982 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.1 -38.56 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.05 -42.47 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.494 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 45.2 m-85 -71.1 -41.2 70.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.54 -40.56 96.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.418 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 7.8 mtpm? -54.67 -29.61 53.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.99 -34.01 77.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.62 170.83 22.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 49.6 t0 -78.69 43.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.0 t -111.98 -35.61 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.14 121.72 29.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.4 -37.89 70.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.5 mtm-85 -58.2 -40.92 82.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.21 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 75.7 mmm -64.49 -49.64 70.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.8 -43.13 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.566 ' HE1' ' CD1' ' A' ' 79' ' ' TRP . 7.4 tpt -62.64 -42.92 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.04 -37.91 78.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 12.9 t70 -72.32 -37.61 68.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -67.87 -42.58 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.666 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.92 -48.19 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.4 mt -101.57 104.56 15.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 p -68.88 -38.0 79.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.83 110.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 20.1 mmtp -64.03 -17.69 63.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.5 t70 -88.5 -31.56 18.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 34' ' ' THR . 24.5 mt -75.22 -32.2 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.593 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 52.3 mt -57.41 -53.53 64.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.79 -41.41 4.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.448 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 37.2 tttt -63.66 -44.36 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 93' ' ' LEU . 10.3 tp -55.65 -35.14 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.14 -21.74 39.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -112.01 15.47 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 41.5 t -134.2 -69.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 89' ' ' LEU . 39.9 mt -76.83 -45.7 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.569 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.53 -55.59 9.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.722 . . . . 0.0 111.077 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.7 -23.27 31.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 0.0 112.375 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -73.67 -48.05 35.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 36.0 m-85 -103.64 40.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.2 p -106.28 158.76 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -119.19 134.01 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.495 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 5.6 ttt -105.91 122.23 45.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 55.7 tp -114.51 148.5 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.62 128.54 49.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.5 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.8 mmm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.63 156.43 42.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.05 130.49 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.7 tt -117.71 141.09 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -150.89 143.83 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.556 ' CE2' HD22 ' A' ' 36' ' ' LEU . 10.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 55' ' ' TYR . 9.1 tp -65.41 -47.01 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -62.26 -37.14 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -66.94 -36.77 82.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 17.7 mt -65.2 -44.51 88.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.46 -44.51 96.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -65.65 -46.89 77.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.21 81.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD22 ' CE2' ' A' ' 125' ' ' TYR . 11.0 tp -59.8 -48.11 83.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.36 -40.48 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -59.07 -52.33 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.9 m-70 -98.59 8.91 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' LEU . 91.5 mt-10 39.61 24.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 ttp85 -178.1 131.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.3 pt -146.1 159.37 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -105.0 118.77 37.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.32 161.02 30.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 170.62 16.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.9 t-105 -62.27 -42.7 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.31 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 8.1 tpp85 -76.68 -37.55 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.67 -51.28 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.85 -48.84 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.22 -46.6 89.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 2.5 ppp? -71.43 -32.82 68.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 52' ' ' MET . 19.1 ttp180 -57.99 -44.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -43.33 99.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.565 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.9 m-85 -69.73 -42.47 73.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.921 0.391 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.31 96.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.49 -49.16 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.2 -48.04 83.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.4 mm -58.5 -42.27 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -58.89 -42.08 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.56 -44.9 92.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.73 87.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -55.33 -30.86 61.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.94 -37.28 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.22 169.53 11.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.7 p30 -84.75 -22.19 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.48 HG21 ' N ' ' A' ' 69' ' ' ASN . 8.0 t -67.52 -32.32 73.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.48 ' N ' HG21 ' A' ' 68' ' ' THR . 18.3 t-20 -56.82 117.32 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -58.05 -42.65 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -59.73 -44.19 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.7 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.8 -48.9 78.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -66.22 -38.73 88.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.458 ' HE2' ' NE1' ' A' ' 79' ' ' TRP . 1.2 tmt? -66.55 -45.24 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -38.51 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.5 -43.34 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.9 m95 -80.25 -47.98 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -99.32 125.01 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.2 p -85.86 -34.26 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -55.54 110.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 49.3 mmtt -64.76 -20.7 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 33.3 t70 -87.63 -31.78 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.84 -31.04 63.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.567 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 17.5 mt -57.79 -55.08 48.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.8 -40.7 4.95 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 3.9 tmtt? -62.78 -45.93 90.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.474 ' N ' ' HD3' ' A' ' 88' ' ' LYS . 13.7 tp -57.22 -35.13 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 67' ' ' ASP . 5.8 m-85 -81.3 -19.86 42.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -110.28 11.0 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 20.8 t -131.99 -72.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 89' ' ' LEU . 40.7 mt -70.52 -45.01 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.544 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.94 -56.86 10.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.078 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.74 -40.17 5.68 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.19 -39.75 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 31.7 m-85 -87.15 -43.19 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' TYR . 19.8 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.533 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 3.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.445 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.7 p -106.34 154.48 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -127.82 139.65 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.468 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 ttt -107.2 135.44 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.8 tp -125.3 142.73 51.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -98.08 137.38 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 111.115 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.1 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.75 161.13 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.37 132.37 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.0 tt -116.5 140.08 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.94 145.4 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.553 ' CE2' HD22 ' A' ' 36' ' ' LEU . 12.0 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.05 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -59.91 -42.83 94.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.53 -38.64 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 mt -60.3 -45.43 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.55 -44.65 95.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -65.55 -45.25 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.22 -36.91 80.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -59.97 -48.18 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.44 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.93 -52.28 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.5 m-70 -102.96 12.43 36.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.5 mt-10 39.62 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' HIS . 54.3 ttt-85 -177.1 131.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 pt -146.8 159.23 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -106.78 119.74 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.15 161.35 30.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.7 171.62 14.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.494 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 2.0 t-105 -62.54 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.66 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -37.03 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 95.7 t -62.27 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.81 -48.92 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.2 -45.54 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.5 ptm -70.63 -32.96 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -56.0 -47.31 77.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.34 99.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 59.0 m-85 -69.32 -38.15 78.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.75 82.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.91 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 2.9 tppt? -64.13 -38.63 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.57 -47.37 85.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 97' ' ' TYR . 40.1 mm -61.73 -42.08 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.24 -41.58 79.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 57.1 m-85 -65.94 -44.19 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.98 -35.77 88.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.408 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -56.33 -30.63 62.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.64 -34.37 78.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.39 169.01 19.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.25 42.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 69' ' ' ASN . 10.2 t -109.54 -35.35 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 68' ' ' THR . 36.1 m-20 -86.85 121.63 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 8.4 pt-20 -57.75 -34.89 70.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 1.3 tmm_? -61.96 -41.66 98.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 84.3 mmm -69.6 -49.63 52.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.3 ptt85 -61.44 -41.72 97.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.401 ' HE2' ' NE1' ' A' ' 79' ' ' TRP . 1.3 tmt? -64.35 -42.6 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.01 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 38.7 t0 -71.37 -34.27 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -68.46 -43.38 77.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.586 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.3 m95 -81.17 -48.14 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' CD1' HD23 ' A' ' 89' ' ' LEU . 67.5 mt -94.4 113.14 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -79.93 -29.37 39.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' CD ' HD11 ' A' ' 85' ' ' LEU . 4.1 mt-10 -64.45 108.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 26.7 mmtp -61.45 -17.68 55.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.4 t70 -88.96 -29.27 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.428 HD11 ' CD ' ' A' ' 82' ' ' GLU . 30.8 mt -75.42 -33.18 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.598 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 55.8 mt -58.05 -53.21 68.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.3 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.401 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' VAL . 9.9 ttpp -63.82 -48.16 77.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 93' ' ' LEU . 12.0 tp -55.74 -35.39 66.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -81.19 -20.71 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -112.05 12.57 20.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' LYS . 30.2 t -131.37 -73.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 89' ' ' LEU . 16.3 mt -73.67 -41.53 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.549 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -48.0 -56.5 13.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.76 -23.65 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.79 -41.05 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 55.0 m-85 -88.37 -38.84 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 26.3 tttp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.957 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 12.5 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.36 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -121.87 142.03 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.494 ' HE1' ' CD2' ' A' ' 46' ' ' TRP . 2.1 ttt -108.55 127.1 53.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.6 tp -115.27 145.32 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.92 126.42 44.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.3 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.693 0.282 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.0 157.21 43.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.32 123.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.4 tt -117.34 131.4 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -147.83 155.97 42.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.874 0.369 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.99 -46.25 88.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -63.76 -43.67 95.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.84 -31.64 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.73 -41.01 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.47 -45.21 80.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 85' ' ' LEU . 21.4 m -64.92 -46.48 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.93 -36.23 81.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 125' ' ' TYR . 6.6 tp -59.18 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.44 -40.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HE ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -61.31 -51.98 66.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' ARG . 30.9 m-70 -95.62 6.96 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.1 mm-40 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' HIS . 30.4 ttm180 -179.57 131.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.6 pt -146.83 159.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -112.38 121.0 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.93 161.16 30.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.647 2.231 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 4.2 t-105 -52.25 -31.28 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.97 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -77.23 -35.37 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 89.9 t -66.43 -47.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.79 -48.2 75.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.88 -46.21 79.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 3.4 ppp? -70.86 -32.83 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 27.6 ttm-85 -60.75 -47.1 87.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.73 -42.87 99.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.13 -39.07 79.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.85 87.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.91 -49.07 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.14 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -45.46 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.8 mm -62.47 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.76 -42.63 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 27.7 m-85 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.38 86.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -54.64 -30.79 56.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.723 0.297 . . . . 0.0 110.809 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.83 -34.18 77.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.69 176.21 19.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.42 ' CB ' ' HE1' ' A' ' 73' ' ' MET . 16.9 p30 -82.03 39.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -115.77 -27.42 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -81.34 127.67 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 11.0 pt-20 -63.36 -41.79 98.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 12.1 tpp85 -62.93 -44.95 94.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . . . -66.63 -46.89 74.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.42 ' HE1' ' CB ' ' A' ' 67' ' ' ASP . 9.0 mmt -61.41 -47.9 83.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 75' ' ' MET . 9.8 ptp180 -63.64 -37.05 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 14.6 mtp -65.87 -45.19 83.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.04 80.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.44 -37.79 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.21 -40.76 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -80.06 -44.88 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.61 116.55 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p -79.17 -19.87 49.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' CD ' HD12 ' A' ' 85' ' ' LEU . 4.5 mt-10 -70.81 96.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 7.9 mmmm -53.0 -24.64 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 18.4 t70 -83.2 -28.97 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 HD12 ' CD ' ' A' ' 82' ' ' GLU . 20.3 mt -73.92 -29.73 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.566 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 37.2 mt -57.67 -55.03 49.06 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.631 0.729 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.82 -41.48 4.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.79 -48.2 81.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 93' ' ' LEU . 11.9 tp -61.01 -34.91 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -79.85 -19.85 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -111.56 10.05 21.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG22 ' CD ' ' A' ' 88' ' ' LYS . 48.2 t -128.89 -73.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.476 HD11 ' CD1' ' A' ' 89' ' ' LEU . 36.6 mt -69.55 -40.35 76.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.544 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -51.85 -56.67 19.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.542 0.687 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.78 -24.83 29.15 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 7.1 tpm_? -74.91 -35.14 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 44.2 m-85 -91.78 -39.54 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.1 ttmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.571 HG23 ' CE1' ' A' ' 125' ' ' TYR . 80.8 p -106.05 155.89 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -125.72 139.69 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.527 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 5.4 ttt -106.7 122.0 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.04 141.33 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -100.81 142.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 28.5 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.03 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.95 132.43 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.5 tt -120.5 141.23 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 7.3 mp0 -146.02 154.75 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 105' ' ' THR . 6.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 55' ' ' TYR . 10.0 tp -61.41 -46.76 88.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -60.01 -42.98 95.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.15 -31.94 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.36 -43.73 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.06 -44.44 84.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 85' ' ' LEU . 11.8 m -65.08 -45.15 86.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.97 -36.8 82.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.602 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.5 tp -60.31 -47.91 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.35 -40.22 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' HD2' ' NE2' ' A' ' 39' ' ' HIS . 46.9 ttm-85 -55.49 -52.27 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.7 m-70 -104.42 13.6 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 57.4 mt-10 39.78 24.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 1.5 tmm_? -177.29 131.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.6 pt -146.79 159.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.59 121.51 43.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.1 161.34 30.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.572 0.701 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 54.1 Cg_endo -69.71 171.4 14.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.44 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 4.4 t-105 -62.27 -42.12 99.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 5.0 mmp_? -76.74 -33.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.8 t -64.95 -53.11 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.35 -48.73 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.25 -45.6 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.434 ' CE ' HD23 ' A' ' 36' ' ' LEU . 16.3 ptm -70.77 -32.94 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.6 99.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.527 ' CE2' HD23 ' A' ' 29' ' ' LEU . 50.6 m-85 -69.97 -38.75 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.988 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.7 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.17 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.9 -49.29 76.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.5 tppp? -59.65 -38.21 80.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.38 -47.74 84.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.434 ' CD1' HD12 ' A' ' 93' ' ' LEU . 36.7 mm -59.13 -42.33 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 25.6 m-85 -68.06 -43.7 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.53 88.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -54.44 -29.68 50.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.75 -40.08 94.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.8 175.16 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.49 -17.63 47.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.808 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 p -82.8 23.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.512 ' OD1' ' CG ' ' A' ' 71' ' ' ARG . 2.1 t-20 -105.57 121.56 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.43 -48.33 70.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CG ' ' OD1' ' A' ' 69' ' ' ASN . 9.2 ptp180 -63.29 -42.82 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.496 ' N ' ' HG3' ' A' ' 71' ' ' ARG . . . -66.99 -42.1 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.6 mmt -61.26 -49.1 78.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' MET . 23.9 ptt180 -64.68 -39.74 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.508 ' HE2' ' CD1' ' A' ' 79' ' ' TRP . 7.0 tpt -67.18 -45.06 78.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.13 78.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 14.1 t0 -72.27 -41.0 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -63.59 -44.05 95.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.5 m95 -80.63 -48.2 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -98.29 114.64 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -79.01 -24.63 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.5 mmmm -54.76 -16.03 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.04 -34.27 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 34' ' ' THR . 32.8 mt -74.2 -28.19 61.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.578 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 39.7 mt -58.66 -54.59 54.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.75 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.6 Cg_endo -69.83 -41.32 4.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -64.14 -48.43 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 93' ' ' LEU . 11.8 tp -56.71 -34.44 67.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -80.97 -19.92 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.76 12.37 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 55.1 t -133.18 -72.3 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 22.9 mt -66.37 -44.29 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.534 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -50.62 -57.16 14.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.715 . . . . 0.0 111.169 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.4 Cg_endo -69.68 -26.64 27.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -75.08 -33.09 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 44.4 m-85 -91.84 -37.38 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' TYR . 14.4 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.963 0.411 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.537 HG21 ' CE1' ' A' ' 125' ' ' TYR . 71.0 p -106.09 164.7 11.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -138.58 137.66 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.44 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 2.0 ttt -105.5 133.01 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.4 tp -127.01 142.17 51.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -101.11 135.19 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.7 pt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 111.148 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.9 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -148.78 161.01 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.11 125.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.6 tt -117.7 132.19 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.61 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.537 ' CE1' HG21 ' A' ' 105' ' ' THR . 38.8 m-85 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 29' ' ' LEU . 4.0 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.9 mt -59.87 -47.84 84.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -65.86 -35.61 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.93 -45.28 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.442 HD12 ' CE3' ' A' ' 79' ' ' TRP . 50.2 mt -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -64.6 -48.61 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.18 87.82 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.2 tp -59.41 -46.79 87.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.06 -40.51 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -55.88 -52.13 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -102.75 11.53 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 21.7 mt-10 40.14 25.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 20.2 ttp85 -177.73 131.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.8 pt -147.28 159.46 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 37.5 tt0 -102.95 120.78 41.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.407 ' C ' ' HE1' ' A' ' 120' ' ' MET . . . -150.7 160.78 31.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.5 Cg_endo -69.77 171.84 13.73 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 6.7 t-105 -62.36 -45.39 93.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.78 85.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.452 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.6 mmp_? -76.82 -32.86 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 62.2 t -65.93 -52.72 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.44 -48.64 76.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.8 -46.04 88.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.4 ptm -70.84 -33.26 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -56.33 -48.69 76.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.48 99.25 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.777 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 47.8 m-85 -68.41 -38.28 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.41 82.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.43 -48.95 78.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -61.15 -41.39 96.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 80' ' ' LEU . 22.7 tp -56.42 -48.42 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.57 -39.72 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -41.36 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -68.37 -41.17 80.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.6 -36.59 90.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.82 -30.28 56.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.362 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 24.3 mt -65.66 -40.62 92.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.7 165.53 10.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 8.4 p-10 -81.23 -28.98 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 69' ' ' ASN . 11.3 t -64.1 -28.91 70.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' N ' HG21 ' A' ' 68' ' ' THR . 9.3 m-20 -55.47 114.93 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.7 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.65 -44.96 86.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.46 -49.19 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -57.11 -47.82 80.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.415 ' HE3' ' NE1' ' A' ' 79' ' ' TRP . 1.5 tmt? -61.22 -39.06 88.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.99 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.29 -39.49 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.32 -44.45 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.777 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.4 m95 -81.35 -47.43 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD1' HD23 ' A' ' 59' ' ' LEU . 20.3 mt -102.32 129.03 48.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.1 p -87.88 -52.27 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.68 111.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.467 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 p-10 -88.42 -32.66 18.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 mt -74.38 -30.12 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.577 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 23.9 mt -58.82 -55.01 50.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.5 Cg_endo -69.85 -41.06 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.275 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' CG ' HG23 ' A' ' 92' ' ' VAL . 24.6 tttp -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.8 tp -57.55 -34.97 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.538 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 8.8 m-85 -81.32 -19.12 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.65 11.42 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.466 HG23 ' CG ' ' A' ' 88' ' ' LYS . 23.8 t -131.1 -73.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' N ' HG11 ' A' ' 92' ' ' VAL . 54.2 mt -72.6 -43.89 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.89 -56.42 11.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.135 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.3 Cg_endo -69.81 -35.08 13.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.293 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -62.46 -43.71 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 59.4 m-85 -86.21 -37.53 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 6.3 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -111.59 151.03 29.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.9 tpp85 -121.68 136.38 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.524 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 5.7 ttt -106.45 120.33 41.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.0 tp -115.84 146.49 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 138.35 41.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.8 pt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 111.135 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.456 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 84.3 mmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -143.1 160.98 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.8 t -114.87 129.31 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.0 tt -116.69 131.67 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -148.73 147.9 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.845 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.44 -48.54 77.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.12 -33.9 76.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.24 -45.71 59.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.76 -44.52 90.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 85' ' ' LEU . 91.4 m -64.37 -45.28 88.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.81 83.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.439 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.6 tp -59.86 -48.25 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.64 -40.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.43 -52.33 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -104.77 14.06 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 63.4 mt-10 39.49 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 38.0 ttm180 -177.76 131.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.0 pt -146.79 159.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.83 119.62 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.97 161.37 31.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.19 25.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 1.9 t-105 -57.12 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.9 97.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -76.5 -36.52 57.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' CG1' ' HE1' ' A' ' 107' ' ' MET . 27.0 t -63.07 -50.71 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.33 -47.27 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.05 -46.09 90.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 1.8 ppp? -70.97 -33.02 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 52' ' ' MET . 27.1 mtm180 -57.56 -50.12 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -43.73 98.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE1' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 m-85 -67.22 -38.84 85.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.82 98.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.05 -49.07 77.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.46 -44.41 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.6 tp -54.63 -46.55 73.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.51 -38.66 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.85 -44.62 82.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.402 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 53.5 m-85 -69.14 -39.32 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.02 -35.67 87.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 38.9 mttp -54.51 -30.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.63 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.07 175.9 25.51 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.78 39.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -109.24 -38.36 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.1 114.78 19.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.2 pt-20 -53.87 -48.36 70.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -56.99 -42.71 80.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.11 83.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.573 ' HE1' ' CZ ' ' A' ' 90' ' ' PHE . 16.0 mmt -66.92 -40.02 87.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 22.9 mmm-85 -55.79 -51.21 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -60.78 -45.59 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.34 96.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.27 -36.43 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.91 -45.05 87.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.584 ' CZ2' ' CE1' ' A' ' 55' ' ' TYR . 97.2 m95 -81.96 -47.46 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.3 mt -96.45 98.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -64.58 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.3 106.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.2 mmtp -59.36 -26.29 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -82.21 -27.44 32.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' A' ' 34' ' ' THR . 17.2 mt -74.26 -33.24 63.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.569 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 31.5 mt -54.85 -54.64 47.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -60.27 -48.22 82.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 93' ' ' LEU . 7.8 tp -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HE1' ' A' ' 73' ' ' MET . 8.5 m-85 -80.95 -19.18 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -111.11 9.91 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.19 -74.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 89' ' ' LEU . 43.7 mt -69.9 -40.89 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -49.93 -57.06 13.64 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.78 -29.74 23.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -66.84 -42.15 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.427 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 88.1 m-85 -106.58 38.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.9 p -105.98 159.31 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.03 138.59 52.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.421 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 2.2 ttt -108.05 128.26 54.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.5 tp -125.3 144.66 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -102.94 128.42 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.742 0.306 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.71 160.27 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.59 133.41 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.6 tt -118.66 138.2 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.62 149.04 29.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.849 0.357 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 1.4 tt -67.06 -47.09 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -59.85 -39.49 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.95 -42.45 97.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.16 -45.16 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 m -66.43 -46.63 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.06 -36.46 90.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 125' ' ' TYR . 17.4 tp -60.23 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.64 -40.44 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -56.96 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.7 m-70 -101.54 10.76 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.2 mt-10 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 3.4 tmm_? -178.08 131.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.1 pt -146.98 159.46 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' CD ' ' HE2' ' A' ' 120' ' ' MET . 28.2 tt0 -103.84 121.05 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.17 158.18 34.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.2 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.411 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.525 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 5.8 t-105 -55.83 -41.97 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.23 91.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -76.48 -38.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG12 ' CE ' ' A' ' 107' ' ' MET . 39.1 t -60.66 -53.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.92 -48.05 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.26 -46.83 87.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.475 ' CE ' HD21 ' A' ' 36' ' ' LEU . 2.5 ppp? -70.84 -32.57 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 52' ' ' MET . 45.0 ttt180 -56.54 -43.97 80.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.12 98.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.557 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.0 m-85 -71.12 -41.82 70.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.936 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.2 99.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.19 -49.34 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 11.1 tptm -60.85 -42.74 98.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.0 tp -55.23 -49.3 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.6 mm -60.74 -38.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.24 -44.19 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.409 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 51.2 m-85 -71.19 -39.92 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.69 -37.99 93.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -54.83 -30.41 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.7 -34.02 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.08 171.03 20.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.438 ' CB ' ' HE1' ' A' ' 73' ' ' MET . 4.3 p30 -80.34 42.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -107.93 -39.98 5.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -82.01 130.56 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -62.45 -37.37 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -58.63 -43.94 89.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.22 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.438 ' HE1' ' CB ' ' A' ' 67' ' ' ASP . 9.1 mmt -62.88 -49.85 73.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' MET . 7.2 ptm180 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 31.8 mmm -63.85 -45.15 90.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.92 76.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 20.8 t70 -71.72 -34.58 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -76.65 -42.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 72.6 m95 -80.72 -48.65 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.5 mt -101.04 114.57 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -75.56 -30.34 59.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.56 97.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.7 mmtm -56.38 -20.62 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 7.6 t70 -86.06 -35.94 19.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.28 -25.47 60.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.574 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 50.8 mt -60.2 -55.25 47.22 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.4 Cg_endo -69.78 -41.5 4.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 14.3 ttpt -60.62 -47.14 87.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 93' ' ' LEU . 14.2 tp -57.58 -35.35 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.48 -19.82 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -111.66 9.96 21.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 15.9 t -128.66 -73.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 40.2 mt -72.37 -42.63 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.547 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -47.9 -56.84 11.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.5 Cg_endo -69.67 -41.05 4.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -56.58 -44.65 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 36.1 m-85 -85.47 -37.87 19.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.886 0.375 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.7 p -105.84 156.28 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -130.3 137.72 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.525 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 5.4 ttt -109.63 136.77 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 tp -130.35 142.85 50.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -91.74 138.97 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.1 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.419 ' HE2' ' CD ' ' A' ' 43' ' ' GLU . 22.2 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.15 161.11 43.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 71.9 t -122.23 137.31 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.8 tt -126.86 132.67 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.76 146.02 26.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.535 ' CE2' HD23 ' A' ' 36' ' ' LEU . 33.5 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.572 HD23 ' CZ3' ' A' ' 79' ' ' TRP . 15.0 tp -65.33 -48.04 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.94 -35.73 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 35.5 mt -69.49 -44.57 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.1 -44.66 87.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -64.33 -42.25 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.86 81.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.0 tp -61.31 -46.06 91.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.05 -40.77 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -59.37 -52.28 66.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.4 m-70 -99.9 12.71 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' LEU . 45.3 mt-10 39.68 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 64.0 ttt-85 -176.92 131.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 28.8 pt -144.97 159.06 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -100.97 118.79 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.47 154.26 33.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.686 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.8 Cg_endo -69.68 174.3 9.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CD2' ' HE2' ' A' ' 107' ' ' MET . 3.8 t-105 -62.76 -46.07 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.62 81.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -76.83 -34.6 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 49.2 t -62.62 -53.27 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.84 -48.56 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.61 -46.35 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 ptm -70.46 -34.41 72.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -56.18 -43.26 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.46 -43.36 99.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 29' ' ' LEU . 54.9 m-85 -71.64 -42.38 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.99 92.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.63 -49.06 72.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -62.07 -39.4 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.12 -49.19 77.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.5 mm -61.12 -39.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -56.66 -45.03 81.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 35.0 m-85 -66.89 -38.43 86.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.84 -35.26 86.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -53.98 -30.64 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.45 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 27.5 mt -65.74 -32.05 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.49 178.25 21.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.5 38.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -111.71 -36.26 5.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 17.3 m-80 -74.14 118.39 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.24 -47.6 78.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -57.18 -43.95 83.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.18 86.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.1 -49.59 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 74' ' ' ARG . 8.7 mtp-105 -60.76 -47.12 87.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.52 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -58.38 -45.48 88.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.84 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -72.49 -33.87 67.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.96 -43.82 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 89.9 m95 -80.71 -48.13 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -102.14 103.91 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 72.9 p -71.07 -36.01 72.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 111.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 2.0 mmmm -67.51 -14.95 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 5.3 m-20 -88.7 -34.68 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.587 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 27.6 mt -57.9 -54.29 56.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.719 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.5 Cg_endo -69.65 -41.39 4.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.418 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' CG ' HG23 ' A' ' 92' ' ' VAL . 13.0 tttp -62.7 -46.58 87.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.4 tp -55.21 -34.29 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 4.7 m-85 -81.3 -20.19 41.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.62 12.44 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.408 HG23 ' CG ' ' A' ' 88' ' ' LYS . 69.8 t -132.54 -73.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 89' ' ' LEU . 23.6 mt -73.08 -42.24 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -48.14 -55.78 16.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.501 0.667 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.69 -26.77 27.55 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.653 2.236 . . . . 0.0 112.406 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.29 -46.86 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -102.08 38.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 121.026 0.441 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.2 p -108.55 156.69 19.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -119.75 139.5 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.516 ' HE2' ' CD2' ' A' ' 46' ' ' TRP . 4.6 ttt -107.01 126.1 51.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.07 143.24 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' C ' HG21 ' A' ' 110' ' ' ILE . 5.1 pt20 -97.19 142.63 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.407 HG21 ' C ' ' A' ' 109' ' ' GLN . 42.8 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.31 157.54 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.512 ' CG1' ' CZ ' ' A' ' 41' ' ' ARG . 88.1 t -116.81 130.68 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.2 tt -117.5 135.24 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -150.75 150.19 30.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 -179.809 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -46.96 88.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -59.71 -40.27 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -67.54 -36.89 81.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.54 -41.49 98.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.16 -44.76 83.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' CD1' ' A' ' 85' ' ' LEU . 20.4 m -65.71 -42.65 90.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.79 81.39 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.5 tp -62.46 -46.44 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.84 -40.64 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.0 -52.29 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.6 m-70 -104.03 14.61 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.7 pt-20 39.71 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.4 ttt-85 -176.93 131.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.39 159.32 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.9 122.71 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.8 161.76 29.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.6 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.513 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 3.5 t-105 -60.93 -45.93 92.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.44 79.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.424 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 17.0 mmp_? -76.48 -36.45 57.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 89.8 t -62.29 -53.55 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.42 -49.21 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -46.22 86.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 ptm -71.53 -33.14 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -54.85 -46.6 74.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.9 98.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 38.8 m-85 -68.26 -41.18 81.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.04 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.01 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -61.32 -42.04 98.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.31 -46.32 83.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.51 -40.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -57.57 -43.73 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 41.2 m-85 -71.32 -38.94 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.14 -41.32 96.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 6.5 mtpm? -54.86 -30.12 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.63 169.02 20.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.47 40.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.4 p -112.35 -37.01 5.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -76.29 121.83 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.26 -46.93 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -57.02 -42.91 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.28 -44.17 88.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.84 -38.74 86.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.4 -49.88 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmm -61.62 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.25 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.1 -37.86 69.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -73.54 -43.94 58.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 14.6 m95 -78.46 -46.54 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' A' ' 89' ' ' LEU . 25.4 mt -107.72 119.75 40.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -80.83 -37.21 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 110.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.7 mmtt -62.35 -26.57 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 75.1 m-20 -81.87 -29.73 32.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 34' ' ' THR . 18.7 mt -73.31 -33.22 65.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.57 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 19.2 mt -54.14 -55.43 36.74 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.73 -41.01 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.282 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -45.31 95.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 80' ' ' LEU . 12.2 tp -61.29 -34.5 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 3.9 m-85 -79.99 -18.99 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -111.17 8.66 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.72 -71.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 89' ' ' LEU . 46.0 mt -72.82 -45.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.555 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -45.17 -56.24 9.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.73 -22.93 31.5 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.746 2.298 . . . . 0.0 112.321 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -73.93 -47.9 34.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 87.3 m-85 -91.34 30.81 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 11.0 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.012 0.434 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.0 p -107.97 162.76 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -121.82 142.0 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.513 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 5.5 ttt -103.96 120.07 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 tp -112.19 142.4 44.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -102.13 125.81 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 111.179 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.01 161.11 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.45 135.98 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.3 tt -114.73 130.02 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -127.53 145.31 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 105' ' ' THR . 3.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.27 -37.49 77.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -62.58 -40.66 97.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -68.58 -33.81 74.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.3 -45.94 85.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD13 ' CE3' ' A' ' 79' ' ' TRP . 45.6 mt -64.47 -44.38 91.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.464 HG21 ' CD1' ' A' ' 85' ' ' LEU . 11.1 m -65.49 -46.51 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.63 80.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 125' ' ' TYR . 7.7 tp -59.76 -47.69 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.36 -40.79 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -56.71 -52.16 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -101.68 11.63 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mt-10 40.0 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.2 ttt180 -176.61 131.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 21.4 pt -147.23 159.26 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.78 121.88 45.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.67 161.1 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 54.5 Cg_endo -69.65 161.87 44.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.1 t-105 -52.22 -47.09 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -40.68 76.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.464 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 81.1 mmt-85 -75.99 -32.85 59.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.3 -49.25 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.97 -47.49 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -62.26 -46.89 86.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 52' ' ' MET . 2.8 ppp? -71.23 -32.85 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -57.8 -47.23 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.94 -43.26 99.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.1 m-85 -68.5 -41.6 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.3 -49.28 76.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.16 -39.96 92.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.71 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.63 -40.79 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -56.9 -42.38 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 56.0 m-85 -66.49 -43.43 85.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.42 -35.16 88.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -54.0 -30.19 46.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.24 -30.68 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.9 167.74 19.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.09 41.41 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 69' ' ' ASN . 7.7 t -115.76 -36.18 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.439 ' N ' HG23 ' A' ' 68' ' ' THR . 5.1 t-20 -77.66 116.7 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.06 -38.67 70.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -57.24 -42.17 80.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.7 mmm -60.97 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -62.4 -47.95 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.424 ' HE1' ' NE1' ' A' ' 79' ' ' TRP . 7.4 tpt -59.94 -45.13 93.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.06 74.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -71.85 -37.01 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -67.49 -41.3 84.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.727 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.8 m95 -80.74 -47.76 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 89' ' ' LEU . 25.8 mt -95.48 111.76 23.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.0 p -87.15 33.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.43 106.73 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 19.7 mmtp -58.49 -18.36 28.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 20.3 t70 -89.05 -32.07 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 34' ' ' THR . 19.3 mt -74.84 -30.96 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 25.6 mt -59.3 -54.15 59.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.74 -41.17 4.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.29 . . . . 0.0 112.341 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.478 ' CG ' HG21 ' A' ' 92' ' ' VAL . 53.2 tttt -64.58 -48.14 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 80' ' ' LEU . 12.7 tp -57.83 -34.87 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 3.6 m-85 -81.21 -21.06 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -111.88 13.95 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 88' ' ' LYS . 51.0 t -132.88 -73.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 89' ' ' LEU . 44.8 mt -74.1 -43.26 58.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.552 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.33 -56.55 10.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.78 -38.7 7.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -60.26 -36.96 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 25.8 m-85 -90.34 -38.92 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 32.2 tttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.558 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.5 p -106.31 161.66 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -135.09 134.34 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.508 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 9.4 ttt -103.96 125.15 50.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.97 141.3 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -98.24 135.31 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.737 0.779 . . . . 0.0 111.123 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.3 mtp . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.709 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.75 160.81 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.71 131.74 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.0 138.83 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 150.26 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE2' HD22 ' A' ' 36' ' ' LEU . 14.3 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 64.6 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -38.91 79.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -59.78 -41.36 90.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.14 -37.39 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' A' ' 79' ' ' TRP . 77.6 mt -66.12 -44.02 85.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -63.32 -48.24 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -36.69 77.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.4 tp -59.78 -48.5 81.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.07 -40.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.78 -52.11 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 20.2 m-70 -102.89 12.29 36.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' LEU . 5.0 pt-20 39.92 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.7 ttt180 -176.33 131.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.4 pt -146.61 159.14 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.42 119.91 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.14 161.26 30.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.691 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.449 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 54.6 Cg_endo -69.79 167.84 23.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.512 ' CD2' ' HE3' ' A' ' 107' ' ' MET . 3.4 t-105 -59.61 -43.7 93.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.76 97.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.442 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 24.9 mmm180 -76.29 -31.29 58.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 74.3 t -70.21 -47.02 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.75 -48.17 78.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 2.2 ppp? -70.93 -33.74 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 52' ' ' MET . 47.4 ttt180 -57.29 -46.78 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.21 99.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.473 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 48.3 m-85 -68.91 -39.5 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.96 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.18 -49.09 77.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -59.32 -42.58 91.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.23 -45.14 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mm -61.06 -42.1 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -57.02 -44.44 82.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -66.77 -39.29 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.94 -36.31 89.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 43.0 mttp -54.77 -30.73 57.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.69 -35.83 81.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.37 160.0 11.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.78 43.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -112.92 -38.21 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -76.78 135.03 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.94 -33.75 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -66.44 -44.68 82.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.82 88.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 14.7 mmt -70.28 -49.15 52.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -63.1 -41.05 99.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.35 -42.75 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.9 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.82 -34.81 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -69.67 -42.49 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' A' ' 33' ' ' LEU . 65.9 m95 -80.86 -48.23 12.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.4 mt -98.37 120.42 38.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -86.06 -39.42 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.68 103.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.6 mmtp -53.84 -14.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.3 t0 -87.86 -32.56 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 mt -74.4 -31.48 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.582 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 27.4 mt -58.0 -54.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.67 -41.62 4.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CG ' HG22 ' A' ' 92' ' ' VAL . 27.3 tttt -63.79 -47.54 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.2 tp -54.82 -34.46 62.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.71 -23.56 39.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -112.11 16.74 20.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 88' ' ' LYS . 23.1 t -129.64 -69.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 89' ' ' LEU . 42.5 mt -80.01 -40.43 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.551 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.31 -56.46 10.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.533 0.682 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 52.8 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -42.12 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.6 m-85 -110.16 41.11 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.3 p -108.78 152.79 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -133.18 141.02 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.512 ' HE3' ' CD2' ' A' ' 46' ' ' TRP . 1.6 ttt -111.87 130.1 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 tp -119.48 141.37 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.63 137.97 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.456 HG22 ' CG2' ' A' ' 122' ' ' VAL . 31.7 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 78.9 mmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.06 160.33 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 110' ' ' ILE . 83.2 t -119.13 131.35 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' A' ' 42' ' ' ILE . 16.9 tt -118.47 137.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -151.06 151.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.451 ' CE1' HD11 ' A' ' 93' ' ' LEU . 15.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.901 0.381 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.02 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -64.24 -42.66 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.07 -32.52 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' CD1' ' CG ' ' A' ' 48' ' ' ARG . 29.9 mt -68.98 -41.41 77.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.05 -44.89 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.044 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -66.92 -48.11 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.24 78.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 125' ' ' TYR . 11.2 tp -59.5 -48.31 82.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.43 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -57.96 -52.21 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.2 m-70 -99.93 9.63 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 37.4 mt-10 39.67 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.3 ttp85 -177.48 131.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 10.9 pt -146.83 159.16 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.41 118.9 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.18 159.27 33.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 169.91 17.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.501 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 4.1 t-105 -62.04 -33.24 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -43.44 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.565 ' CG ' ' CD1' ' A' ' 32' ' ' LEU . 8.7 tpp180 -76.69 -36.43 57.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.31 -52.53 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.14 -48.86 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.0 -45.96 86.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.458 ' CE ' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -71.16 -33.53 70.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -55.5 -45.52 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.59 -43.26 99.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.721 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 61.3 m-85 -68.89 -44.25 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.49 98.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.85 -49.08 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.13 -39.12 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.19 -44.74 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.7 mm -61.98 -42.02 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.32 -42.76 92.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 24.6 m-85 -63.59 -45.76 88.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.99 -35.56 87.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -54.68 -30.9 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.93 -34.55 78.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.87 176.53 21.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.15 40.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 -35.86 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -82.4 117.96 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -55.41 -40.76 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.89 -38.88 87.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.89 86.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.59 -49.07 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 75' ' ' MET . 1.6 ppt_? -67.45 -38.41 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.507 ' HE2' ' CD1' ' A' ' 79' ' ' TRP . 8.5 tpt -63.0 -44.63 95.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.25 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 32.6 t0 -72.11 -37.94 69.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.36 -43.92 89.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.721 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.2 m95 -80.8 -47.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' HD23 ' A' ' 89' ' ' LEU . 29.7 mt -100.32 111.97 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.5 p -75.37 -35.72 61.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.94 108.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 25.0 mmtp -62.99 -20.47 65.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 4.1 p-10 -88.38 -27.93 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.24 -33.64 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.598 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 35.5 mt -57.8 -53.02 70.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.84 -41.24 4.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.463 ' CG ' HG21 ' A' ' 92' ' ' VAL . 19.5 tttp -64.19 -43.46 95.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 80' ' ' LEU . 13.3 tp -59.64 -34.82 73.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -80.05 -20.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.86 10.49 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG21 ' CG ' ' A' ' 88' ' ' LYS . 43.0 t -129.64 -73.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 89' ' ' LEU . 31.1 mt -72.45 -41.67 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.555 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -48.78 -56.15 16.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.569 0.7 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.2 Cg_endo -69.79 -41.0 4.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.63 2.22 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -59.68 -38.48 81.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LYS . 43.7 m-85 -88.48 -30.93 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.443 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 5.6 m-85 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.544 HG21 ' CD1' ' A' ' 125' ' ' TYR . 71.1 p -105.89 162.95 13.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -142.57 141.38 31.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.501 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 5.0 ttm -108.5 143.55 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -130.35 133.07 46.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -84.99 136.78 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.5 mmm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.98 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.04 123.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.7 tt -114.49 137.17 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 36' ' ' LEU . 23.1 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.9 p -94.11 132.82 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -156.13 135.53 12.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.38 128.66 6.32 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -172.66 168.52 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -147.14 156.9 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 -55.05 2.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' CD1' ' C ' ' A' ' 28' ' ' LEU . 1.4 tm? -62.38 -47.27 84.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.99 -40.15 88.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -61.29 -42.89 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -65.87 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.25 -44.47 88.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.512 HD11 ' CE3' ' A' ' 79' ' ' TRP . 55.5 mt -63.24 -44.1 96.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 85' ' ' LEU . 30.6 m -66.05 -43.61 86.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.46 84.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.5 tp -61.64 -48.2 81.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.31 -41.17 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -55.88 -51.93 65.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.1 m-70 -103.08 12.85 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' LEU . 70.6 mt-10 40.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -175.97 131.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 36' ' ' LEU . 29.0 pt -145.8 159.13 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -109.26 120.79 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.58 161.08 31.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.551 0.691 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.436 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.1 Cg_endo -69.83 173.88 10.39 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.524 ' CD2' ' HE3' ' A' ' 107' ' ' MET . 4.1 t-105 -61.45 -47.58 85.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.5 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.18 -37.51 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 92.1 t -65.14 -47.35 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.33 -48.66 74.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.96 -46.04 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.3 ppp? -70.44 -32.96 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 64.6 ttt180 -61.8 -44.8 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.25 99.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.747 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.2 m-85 -71.97 -43.81 64.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 110.916 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.37 95.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.24 -48.98 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.433 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 19.1 tptt -60.62 -39.25 87.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.8 tp -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.415 ' CD1' HD12 ' A' ' 89' ' ' LEU . 41.1 mm -62.08 -42.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.17 -43.47 82.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 32.4 m-85 -69.09 -39.8 78.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -35.92 88.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.95 -30.77 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.02 -33.52 75.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.05 172.67 19.1 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -80.87 41.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -111.28 -30.5 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -86.46 131.96 34.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.88 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -60.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.48 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.0 mmt -66.22 -49.17 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -62.89 -36.89 84.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 10.5 mtp -65.97 -45.01 83.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.7 83.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.406 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 36.1 t0 -72.06 -36.97 69.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -72.84 -43.72 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.747 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.9 m95 -80.21 -48.1 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.7 mt -104.68 124.31 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.844 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.5 p -83.83 -45.66 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -41.7 102.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtm -58.07 -19.37 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 15.4 t70 -89.23 -31.01 18.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 34' ' ' THR . 19.9 mt -75.02 -29.81 60.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.592 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 33.4 mt -59.88 -53.94 60.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.092 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.8 -41.17 4.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' CG ' HG21 ' A' ' 92' ' ' VAL . 26.7 tttp -60.6 -45.99 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -56.44 -36.43 69.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -81.05 -19.89 42.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -111.97 13.96 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 88' ' ' LYS . 33.6 t -131.32 -72.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 89' ' ' LEU . 24.0 mt -76.21 -43.36 42.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.74 -56.53 8.44 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.7 Cg_endo -69.83 -35.02 13.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.1 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 38.8 m-85 -88.3 -31.09 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.2 tmtt? -34.32 -44.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.09 -45.91 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.79 158.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.4 m -116.44 40.1 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.01 -176.06 16.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 45.87 86.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.522 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.8 m-85 -95.48 -46.75 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.89 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 125' ' ' TYR . 69.7 p -106.34 164.91 11.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -136.32 135.79 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.524 ' HE3' ' CD2' ' A' ' 46' ' ' TRP . 2.7 ttt -104.48 134.02 48.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.83 149.2 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -97.91 136.83 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.409 ' CG2' HG22 ' A' ' 122' ' ' VAL . 26.0 pt -140.67 151.49 63.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.96 13.45 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.746 2.297 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -110.2 132.86 53.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -108.0 39.0 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.2 t -118.61 147.75 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.0 tp -41.35 -57.85 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.89 138.09 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.87 137.45 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -145.43 162.47 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.71 102.64 11.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.6 mmm -112.93 155.63 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.64 156.42 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.409 HG22 ' CG2' ' A' ' 110' ' ' ILE . 66.7 t -114.29 131.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 12.2 tt -117.09 139.78 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' OE1' ' ND2' ' A' ' 128' ' ' ASN . 1.2 pp20? -150.72 142.02 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.557 ' CD1' HG23 ' A' ' 105' ' ' THR . 9.5 m-85 -72.91 136.33 45.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -64.93 78.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.88 57.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.402 ' ND2' ' OE1' ' A' ' 124' ' ' GLU . 2.1 p30 -117.34 169.17 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 98.8 m -116.19 43.75 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.5 mt -104.37 149.42 37.33 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.59 0.709 . . . . 0.0 110.962 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.29 56.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -179.52 2.98 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.42 HD12 ' C ' ' A' ' 133' ' ' LEU . 4.5 pp -142.43 152.35 60.2 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.689 0.757 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 117.92 5.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -71.55 149.99 93.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 123.51 10.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 22.5 t -73.67 -58.4 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -47.54 137.96 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -9.19 25.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 m -128.32 131.65 48.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -115.13 -60.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 m -72.75 97.07 2.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -129.55 177.29 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.795 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.18 -114.09 0.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -79.9 177.71 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -61.96 84.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.52 38.9 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.9 mt -74.29 -42.7 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 55' ' ' TYR . 9.5 tp -64.64 -45.41 86.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -60.12 -41.59 92.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -67.91 -32.25 72.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.5 mt -65.11 -44.69 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.76 -44.28 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.6 m -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.93 81.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.6 tp -60.0 -47.67 84.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.5 -40.47 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.61 -52.11 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 13.4 m-70 -102.88 11.31 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.2 mt-10 39.8 25.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.555 HH21 ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -176.97 130.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.452 ' N ' ' HE ' ' A' ' 41' ' ' ARG . 20.2 pt -146.4 159.7 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.555 ' N ' HH21 ' A' ' 41' ' ' ARG . 18.5 tt0 -102.56 118.81 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.1 160.9 31.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 111.123 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.455 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 54.3 Cg_endo -69.79 171.26 14.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.514 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.2 t-105 -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.46 96.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.455 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 11.8 mmm-85 -76.41 -34.77 58.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 53.5 t -64.95 -53.19 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.22 -48.43 78.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.76 -45.9 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.443 ' CE ' HD21 ' A' ' 36' ' ' LEU . 14.9 ptm -71.0 -33.42 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -56.48 -45.62 80.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.38 -43.57 99.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.588 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 51.5 m-85 -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.91 78.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.39 -48.06 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.2 tppp? -61.28 -41.31 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.4 tp -57.51 -46.9 83.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.41 HG22 ' CD2' ' A' ' 97' ' ' TYR . 37.9 mm -61.76 -40.03 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.55 -41.49 85.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 38.3 m-85 -70.14 -40.42 74.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.46 90.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.09 -30.55 59.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.98 -33.7 76.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.33 170.34 20.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -81.02 41.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -110.58 -26.28 9.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -93.33 121.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.47 -34.85 67.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.21 -41.93 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.09 86.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 79.9 mmm -70.83 -49.04 50.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.52 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -44.66 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.54 72.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.14 -37.81 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.44 -43.38 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.53 -48.04 13.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.3 mt -98.55 117.92 34.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -80.58 -36.67 32.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -52.64 107.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtt -62.43 -22.85 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 10.5 t0 -86.19 -28.24 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.37 -34.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.574 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 24.8 mt -56.17 -54.34 53.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.737 . . . . 0.0 111.197 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.77 -41.16 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -47.5 86.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.474 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.2 tp -59.43 -34.79 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.7 -19.57 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -111.68 8.98 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.419 HG12 ' CD2' ' A' ' 93' ' ' LEU . 25.0 t -127.37 -73.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.474 HD11 ' CD1' ' A' ' 89' ' ' LEU . 15.7 mt -73.24 -43.51 61.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.03 -56.34 10.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 111.135 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 52.7 Cg_endo -69.84 -36.61 10.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.296 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -62.61 -37.02 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 30.5 m-85 -89.39 -35.47 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' TYR . 35.4 tttt -34.0 -46.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.68 -46.79 52.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 27.1 mt-30 -58.37 160.51 5.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 66.7 p -116.09 39.51 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.7 -174.77 20.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.45 89.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.8 m-85 -111.4 -47.77 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.979 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.571 HG23 ' CE1' ' A' ' 125' ' ' TYR . 82.1 p -106.05 157.42 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -132.22 141.82 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.514 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 1.9 ttt -110.82 142.12 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.0 tp -135.25 146.89 49.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -95.8 143.06 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.457 ' CG2' HG23 ' A' ' 122' ' ' VAL . 28.3 pt -145.86 151.19 45.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 167.4 24.59 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' SER . 8.5 ttm180 -97.79 168.03 10.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 8.1 t -34.85 -46.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 116' ' ' ASP . 9.5 tp -49.75 156.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 115' ' ' LEU . 85.5 m-20 -34.42 149.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -46.32 141.29 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -156.72 146.11 20.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -85.78 97.35 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 85.0 mmm -116.31 147.43 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -141.43 160.91 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.457 HG23 ' CG2' ' A' ' 110' ' ' ILE . 96.8 t -115.96 135.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.59 131.0 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.05 147.78 27.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 105' ' ' THR . 46.4 m-85 -70.99 154.98 41.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -71.67 80.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -169.82 -58.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -65.5 146.45 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.55 43.79 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.9 mt -53.46 146.59 23.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.29 19.18 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 133' ' ' LEU . 3.5 mm? -45.67 143.76 2.91 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 118.98 6.01 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.546 ' C ' ' CD2' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -57.04 147.16 56.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.478 ' O ' ' CD2' ' A' ' 135' ' ' LEU . 53.3 Cg_endo -69.83 126.24 13.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.74 2.294 . . . . 0.0 112.299 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -135.51 137.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 158.0 137.35 2.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 125.95 12.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.719 2.28 . . . . 0.0 112.326 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 76.3 p -64.45 97.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 p -131.52 162.79 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.448 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.58 107.74 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -142.4 121.69 13.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.63 -118.94 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -162.02 169.77 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -108.35 150.83 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.94 -47.22 1.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.42 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.72 -40.65 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.517 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -60.04 -41.57 92.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.12 -33.58 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.49 -44.67 93.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.05 -44.53 84.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.4 m -64.05 -46.83 82.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.42 -36.77 84.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.6 tp -59.83 -47.17 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 72.3 t -66.63 -41.62 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.0 m-70 -99.75 10.65 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 38.6 25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.8 ttt85 -177.91 131.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.2 pt -146.94 158.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 32.1 tt0 -107.82 119.91 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.98 161.63 29.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.581 0.705 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 173.97 10.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.461 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 2.8 t-105 -61.91 -40.4 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.71 96.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.2 mpt_? -76.39 -43.16 41.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.6 t -59.05 -52.98 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -62.11 -48.88 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.425 ' HE2' ' CD2' ' A' ' 36' ' ' LEU . 12.9 ptm -71.23 -33.11 69.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -55.61 -48.31 75.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.62 99.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.2 m-85 -68.56 -37.42 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -61.84 -49.54 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.36 -40.53 97.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.31 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.3 mm -58.39 -38.21 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -57.67 -44.09 85.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 45.1 m-85 -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.524 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.99 -35.74 88.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.85 -30.7 58.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.297 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.2 -27.52 68.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.61 177.42 29.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -82.4 38.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.8 p -110.35 -37.2 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -77.67 112.0 14.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -53.74 -48.64 69.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.79 -40.65 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -45.65 83.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.506 ' HE3' ' CZ ' ' A' ' 90' ' ' PHE . 8.8 mmt -69.39 -38.45 77.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -56.36 -51.39 68.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.401 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 9.8 ttt -66.98 -45.07 78.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.53 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.419 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 17.1 t0 -70.58 -38.78 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -62.8 -41.85 99.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.581 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 66.0 m95 -80.76 -47.77 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 89' ' ' LEU . 95.6 mt -97.2 111.55 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -82.77 -17.16 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -75.62 98.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -54.16 -14.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 29.8 t70 -90.35 -33.49 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.7 mt -75.24 -30.25 60.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.595 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 24.1 mt -60.08 -53.87 60.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.75 -41.27 4.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 27.5 tttt -65.16 -46.51 80.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.0 tp -55.98 -35.16 66.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 6.7 m-85 -78.76 -22.4 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -111.89 12.42 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.459 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 29.0 t -128.13 -71.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 89' ' ' LEU . 36.0 mt -76.41 -42.69 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.553 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -45.85 -56.2 10.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.542 0.687 . . . . 0.0 111.186 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.81 -22.89 31.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -74.93 -43.27 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 98' ' ' LYS . 31.9 m-85 -87.01 -42.36 13.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 17.9 tptp -33.81 -41.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.65 -46.63 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -53.4 169.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 11.0 m -114.43 42.56 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.92 -170.77 13.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.57 89.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.411 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.2 m-85 -109.91 -44.28 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.954 0.407 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.568 HG21 ' CE1' ' A' ' 125' ' ' TYR . 82.7 p -107.88 161.8 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -134.01 140.13 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.461 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 1.9 ttt -109.97 131.17 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.7 tp -122.55 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.17 129.73 39.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.24 151.66 78.74 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -178.96 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 118' ' ' ALA . 26.5 m-20 -129.31 -174.82 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -71.23 124.26 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -40.33 -43.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.797 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -76.99 -61.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.06 113.13 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -92.92 101.89 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 112' ' ' ASN . . . -133.29 108.27 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -48.22 103.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.465 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 85.1 mmm -113.16 151.78 30.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.6 156.8 42.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.411 HG12 ' NH1' ' A' ' 41' ' ' ARG . 93.0 t -118.2 130.11 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.7 tt -115.63 137.13 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -149.49 145.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 105' ' ' THR . 25.5 m-85 -73.99 154.45 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -63.99 77.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -166.32 174.8 41.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.452 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -122.69 78.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.27 -41.59 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.6 mt -98.65 151.83 37.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.38 67.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 169.74 18.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.401 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.28 154.87 29.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 130.1 18.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.619 2.213 . . . . 0.0 112.314 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.67 141.27 31.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 131.12 20.47 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.8 m -50.92 125.85 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -159.0 79.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 167.7 23.78 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 t -63.43 133.64 54.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.8 p -109.11 -47.1 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.3 m -93.95 90.74 6.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 p -76.32 -43.76 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.28 156.24 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -144.92 169.13 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.91 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.0 m -88.05 165.74 14.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.54 -54.11 4.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.29 -45.06 89.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.17 -46.78 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 20.4 mtp180 -59.77 -43.75 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.37 -32.31 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.47 -45.01 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -65.35 -44.85 86.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' CD1' ' A' ' 85' ' ' LEU . 19.3 m -62.9 -47.85 81.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.13 91.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.4 tp -59.33 -47.76 84.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.76 -40.22 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -57.92 -52.72 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -102.22 13.6 34.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.3 mt-10 39.45 25.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' HIS . 16.1 ttt180 -179.44 131.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 HD11 ' CE ' ' A' ' 52' ' ' MET . 6.4 pt -146.55 159.69 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -106.45 122.26 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 121' ' ' ALA . . . -150.9 161.83 28.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.49 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.4 Cg_endo -69.77 173.37 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.52 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.8 t-105 -62.3 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.4 mpt_? -76.43 -39.05 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 92.6 t -62.53 -52.64 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.38 -48.93 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -60.74 -46.07 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.471 ' CE ' HD11 ' A' ' 42' ' ' ILE . 16.3 ptm -71.25 -32.88 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -57.21 -47.34 81.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.46 99.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.781 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 55.0 m-85 -70.45 -36.18 73.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.0 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.62 -48.97 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.496 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 10.7 tppt? -60.93 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.6 tp -60.63 -50.28 74.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.1 mm -57.93 -42.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.78 -43.97 85.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 26.6 m-85 -60.93 -45.58 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.429 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.75 -37.13 91.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -54.9 -30.05 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.26 -39.13 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.72 162.89 9.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.52 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 p30 -84.35 -26.07 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -68.16 -27.08 66.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.73 119.55 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -64.65 -40.43 95.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -57.73 -45.42 85.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.73 85.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt -60.64 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -62.25 -44.19 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.55 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 6.6 tpt -64.2 -45.16 89.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.5 82.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 8.9 t70 -72.08 -38.35 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 28.6 t80 -65.76 -42.5 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.781 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.8 m95 -81.11 -48.13 12.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' A' ' 89' ' ' LEU . 33.9 mt -97.25 130.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -88.79 -42.63 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.97 112.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.5 mmtt -63.48 -22.0 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 19.6 m-20 -85.42 -30.84 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 34' ' ' THR . 24.1 mt -74.4 -30.95 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 33.5 mt -57.22 -54.59 53.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.71 -41.27 4.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.525 ' CG ' ' CG2' ' A' ' 92' ' ' VAL . 39.7 tttt -61.09 -44.66 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 93' ' ' LEU . 12.3 tp -54.88 -34.27 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.52 ' CD2' ' HA ' ' A' ' 67' ' ' ASP . 5.2 m-85 -80.66 -23.58 39.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.38 17.42 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.525 ' CG2' ' CG ' ' A' ' 88' ' ' LYS . 20.4 t -130.34 -68.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD11 ' CD1' ' A' ' 89' ' ' LEU . 47.8 mt -82.57 -40.7 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.544 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.84 -56.86 7.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.72 -36.16 11.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -65.29 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.83 -31.38 13.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -37.74 -43.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.41 -46.15 64.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.47 165.65 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.6 m -128.6 41.4 3.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.13 -178.81 18.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.91 89.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -113.89 -41.69 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -114.78 163.34 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -139.67 141.97 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.517 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 3.2 ttt -111.43 132.1 54.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -117.32 152.49 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.5 132.52 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.444 HD13 ' CG2' ' A' ' 122' ' ' VAL . 16.0 pt -141.61 152.76 64.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 169.55 18.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -104.65 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -89.24 -40.89 12.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m -46.98 161.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -66.2 -61.44 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -64.95 154.9 36.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -71.47 129.97 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.14 115.14 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.52 ' HD3' ' CE3' ' A' ' 46' ' ' TRP . 23.2 ttmt -66.92 82.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.47 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -72.38 149.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -148.54 160.41 43.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.444 ' CG2' HD13 ' A' ' 110' ' ' ILE . 73.8 t -119.51 123.87 71.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.6 tt -114.27 134.63 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -149.86 148.23 28.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 127' ' ' GLY . 24.2 m-85 -69.14 155.01 41.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' GLY . 4.1 tppp? -60.42 75.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . 40.32 93.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 125' ' ' TYR . 2.5 m-80 -112.44 -55.08 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . 0.487 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 9.1 t -122.08 -43.25 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 mt -70.16 152.04 95.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.85 55.21 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.79 67.41 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -127.67 138.76 33.53 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.607 0.718 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.272 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.88 142.4 48.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -49.55 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.5 p -171.56 142.08 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.72 95.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.34 7.14 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -99.67 -48.22 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.9 t -167.28 167.92 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 36.0 m -98.92 42.1 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -109.15 83.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.05 -157.9 45.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -70.3 169.36 13.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m 64.01 42.92 5.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.68 -49.05 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 75.9 mt -76.13 -43.15 44.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.11 -43.08 99.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 23.4 mtp180 -59.9 -42.49 93.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -68.21 -34.48 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 mt -62.78 -45.9 90.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.531 HD13 ' CE3' ' A' ' 79' ' ' TRP . 46.9 mt -65.22 -44.5 88.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 m -65.9 -44.18 86.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.68 80.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.7 tp -61.09 -48.62 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.04 -40.72 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -57.67 -52.04 67.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.0 m-70 -101.8 13.09 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 mt-10 39.85 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 40.8 ttt180 -177.66 131.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 pt -143.32 159.04 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -110.72 118.81 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.18 161.29 30.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 111.15 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 172.89 11.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.446 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 2.9 t-105 -61.82 -39.52 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.98 99.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -76.29 -37.73 57.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 47.4 t -65.55 -46.92 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -64.27 -48.71 74.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.01 -46.22 82.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.64 -32.71 70.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 38.1 ttt180 -61.24 -44.43 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.7 -43.38 99.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.797 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 58.4 m-85 -69.47 -36.86 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.65 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.01 -48.98 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -60.48 -40.56 91.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.6 tp -59.0 -43.45 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.12 -42.09 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.19 -44.81 83.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.15 -41.89 96.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -35.93 88.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -55.93 -30.74 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.75 -32.09 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.26 166.93 21.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.42 42.52 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -112.67 -21.57 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -97.88 123.73 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.73 -36.82 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -61.5 -40.66 95.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.43 88.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.2 mmm -68.54 -49.24 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -63.24 -39.67 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.418 ' HE1' ' NE1' ' A' ' 79' ' ' TRP . 7.6 tpt -66.21 -42.76 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.9 70.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -71.95 -35.32 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.495 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 41.3 t80 -68.84 -44.03 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.797 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.6 m95 -81.18 -48.31 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 89' ' ' LEU . 52.3 mt -97.23 104.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.6 p -69.25 -35.2 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -57.02 110.41 0.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 30.6 mmtt -62.91 -24.99 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 17.9 t0 -82.78 -31.1 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.2 mt -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 22.8 mt -55.24 -55.4 39.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.8 Cg_endo -69.82 -41.17 4.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.465 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 11.0 ttpt -60.92 -47.87 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.0 tp -56.85 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -81.27 -18.94 44.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -110.6 10.04 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 66.2 t -132.63 -74.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 89' ' ' LEU . 30.0 mt -68.5 -40.64 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.542 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -52.0 -56.83 18.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.81 -39.89 5.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.366 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.21 -47.94 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.408 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . 56.7 m-85 -97.36 37.09 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -90.95 -47.48 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.34 -44.58 74.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -57.33 164.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -133.65 46.81 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.54 122.73 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.32 79.99 1.0 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 97' ' ' TYR . 5.7 m-85 -108.56 -44.87 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.978 0.418 . . . . 0.0 110.931 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 70.9 p -106.31 160.45 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -132.56 140.72 48.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.446 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 2.4 ttt -105.77 136.82 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.1 tp -128.97 147.54 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -102.98 121.41 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 122' ' ' VAL . 19.9 pt -122.68 141.8 36.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 112' ' ' ASN . 1.1 m-80 -132.62 164.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -39.9 -57.41 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' LEU . 65.6 m -92.67 154.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 43.6 mt -34.32 -62.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.21 63.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 112' ' ' ASN . 49.5 ttt180 -63.58 -56.59 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.74 170.87 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -84.29 92.31 7.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.8 mmm -104.74 153.09 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.97 160.3 44.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.468 ' CG2' HD12 ' A' ' 110' ' ' ILE . 83.6 t -124.85 131.95 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.8 tt -119.81 133.13 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 154.92 38.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -79.17 136.12 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 127' ' ' GLY . 20.3 mttp -39.32 -65.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 126' ' ' LYS . . . 34.73 -109.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.536 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -120.0 179.33 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 46.9 t -82.34 90.94 6.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.75 151.62 52.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 121.65 8.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.313 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 134.04 27.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.7 mt -63.03 118.1 39.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 153.16 68.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.276 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.8 mp -41.92 160.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.703 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 2.12 3.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 t -115.82 173.6 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -41.98 135.42 3.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.66 3.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 t -101.01 153.69 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.9 p -100.63 -54.37 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.0 p -163.12 135.84 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 m -65.31 -52.42 54.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.71 109.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -97.83 41.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 t -70.72 -48.16 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.59 41.09 0.25 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' CD2' ' H ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.62 -48.1 17.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.565 HD13 ' CZ3' ' A' ' 79' ' ' TRP . 0.4 OUTLIER -59.0 -46.65 87.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.96 -42.92 97.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -69.46 -31.02 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt -70.12 -41.89 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.49 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 82.8 mt -65.59 -44.75 85.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 85' ' ' LEU . 8.9 m -65.82 -48.12 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.57 -36.19 76.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.8 tp -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' CG1' ' HZ3' ' A' ' 88' ' ' LYS . 56.7 t -66.89 -40.58 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.26 -52.38 65.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.0 m-70 -100.23 9.53 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LEU . 30.6 mt-10 39.53 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 27.7 ttp180 -178.0 130.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 5.1 pt -147.91 160.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.05 119.16 38.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.97 161.54 30.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 52.7 Cg_endo -69.86 170.75 15.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.611 2.207 . . . . 0.0 112.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -61.09 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.68 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.1 mmt85 -76.62 -34.87 58.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -66.1 -51.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.37 -48.6 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.09 -45.51 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.467 ' CE ' HD11 ' A' ' 42' ' ' ILE . 21.2 ptm -70.67 -33.04 70.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -58.5 -46.6 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.72 -43.21 99.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 56.2 m-85 -69.99 -40.1 75.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.81 84.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -48.86 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -62.22 -40.12 95.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.4 tp -58.09 -48.64 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.8 mm -60.19 -41.97 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -56.36 -42.79 78.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 28.3 m-85 -70.53 -38.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.09 82.91 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 62.2 mttt -53.65 -31.22 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 15.0 mt -66.21 -32.89 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.51 176.91 21.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.44 39.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -115.0 -27.13 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 16.5 m-80 -82.4 133.52 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.83 -48.0 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -57.88 -39.38 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.43 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.5 mmt -70.18 -49.3 51.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -59.13 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mtp -58.91 -43.53 91.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.0 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -72.0 -41.78 67.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.4 -43.44 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.681 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 22.4 m95 -76.35 -47.59 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 89' ' ' LEU . 33.4 mt -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.006 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -77.68 -33.01 53.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -57.39 112.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 9.5 mmpt? -63.13 -20.42 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.2 m-20 -88.3 -28.1 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 34' ' ' THR . 19.4 mt -75.22 -33.2 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.586 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -58.18 -53.68 63.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.19 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.84 -41.05 4.51 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.625 2.216 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.49 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.485 HD13 ' CD1' ' A' ' 93' ' ' LEU . 12.0 tp -55.88 -34.77 65.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -80.83 -19.78 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -111.66 11.95 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.49 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 14.3 t -131.33 -74.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.485 ' CD1' HD13 ' A' ' 89' ' ' LEU . 27.6 mt -72.56 -41.9 65.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.554 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -47.96 -56.32 14.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.77 -34.15 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.382 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -64.74 -39.6 93.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.57 39.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -80.58 -38.79 28.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.2 p-10 -86.36 -45.02 11.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 99' ' ' ASP . 32.3 mt-30 -34.2 132.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -115.44 35.81 4.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 122.85 2.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.76 82.2 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -101.34 -39.51 7.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 80.4 p -106.01 165.64 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 35.7 mtp180 -127.19 140.77 52.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.4 ttt -105.63 125.7 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 tp -114.99 143.25 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.67 140.17 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 48.0 pt -141.9 151.94 60.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.32 12.83 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -117.8 118.92 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -97.24 -42.65 7.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 m -42.76 142.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.9 mt -48.05 -51.82 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -56.77 142.48 40.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -165.71 136.35 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -68.13 83.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 mmt -79.94 141.1 36.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.42 156.32 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.404 HG12 ' CD ' ' A' ' 124' ' ' GLU . 79.5 t -117.63 134.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.9 tt -117.66 137.03 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.404 ' CD ' HG12 ' A' ' 122' ' ' VAL . 2.3 mp0 -145.27 154.37 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -84.78 124.1 31.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.415 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . 21.5 ttmt -72.06 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -159.28 -42.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -108.11 160.76 15.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 17.9 t -107.15 95.62 5.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.7 mt -79.32 157.23 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 169.76 18.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.244 . . . . 0.0 112.368 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.32 8.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.54 151.88 76.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -83.86 151.48 61.02 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.55 12.42 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.1 t -88.07 -46.6 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.54 157.99 28.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 165.68 30.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 97.6 p -74.79 95.22 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 88.9 p -119.04 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -127.52 -43.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -61.42 -48.44 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.98 -174.52 25.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m -95.76 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.828 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 p -174.87 137.27 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.38 -37.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.77 -42.34 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 29' ' ' LEU . 2.4 tt -59.21 -48.06 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -60.57 -39.78 89.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.31 -34.63 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.0 mt -65.44 -45.97 81.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.77 -44.98 94.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.8 m -67.65 -44.99 76.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.21 -36.56 79.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -61.28 -48.42 81.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.9 -40.78 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.97 -52.31 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' ARG . 15.9 m-70 -102.63 11.52 37.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.0 mp0 39.99 25.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.0 ttt180 -176.9 131.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 HG13 ' CG2' ' A' ' 123' ' ' ILE . 16.7 pt -146.64 159.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 35.4 tt0 -106.55 120.61 42.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 121' ' ' ALA . . . -151.09 160.91 31.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.452 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 53.9 Cg_endo -69.77 170.26 16.99 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.609 2.206 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.529 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 11.5 t-105 -62.22 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.39 93.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 15.5 mmm-85 -76.52 -38.45 55.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG11 ' CE ' ' A' ' 107' ' ' MET . 29.4 t -63.06 -49.55 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.93 -49.15 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.88 -46.92 87.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 52' ' ' MET . 3.0 ppp? -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -58.04 -42.46 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -44.0 98.55 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.5 m-85 -67.17 -43.89 81.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.26 91.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.99 -49.25 78.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -59.56 -42.15 91.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.04 -49.19 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.15 -39.81 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.69 -45.18 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.24 -39.23 89.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 -34.96 86.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.63 -30.08 41.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.67 168.43 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -79.55 43.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.3 p -116.29 -36.82 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -77.29 125.17 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.1 -43.85 82.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -57.16 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.17 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 3.6 mmt -68.22 -49.43 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -63.96 -44.94 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.46 ' HE3' ' NE1' ' A' ' 79' ' ' TRP . 6.9 tpt -58.7 -44.66 90.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.39 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -72.42 -34.73 68.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.15 -44.09 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 88.8 m95 -80.99 -47.17 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 89' ' ' LEU . 22.4 mt -97.64 109.41 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.7 p -72.4 -38.25 68.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.78 107.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 32.4 mmtp -61.15 -22.84 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.436 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.7 t0 -83.7 -30.65 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 21.3 mt -73.38 -31.63 64.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.558 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -55.62 -55.12 43.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.185 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD21 ' CD1' ' A' ' 80' ' ' LEU . 12.6 tp -59.04 -34.99 72.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -81.29 -19.42 42.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.49 11.98 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 39.2 t -130.79 -73.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 89' ' ' LEU . 41.4 mt -72.94 -44.91 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.549 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.93 -56.64 8.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.77 -25.88 28.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.618 2.212 . . . . 0.0 112.358 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -69.88 -42.18 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.12 39.07 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -74.81 -53.63 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.7 p30 -80.66 -43.47 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 5.1 mm100 -34.9 140.15 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.975 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.7 p -111.4 36.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.12 167.02 11.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.98 85.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -119.88 -40.44 2.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 0.0 110.908 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 47.8 p -105.92 145.03 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -116.02 139.22 50.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.529 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 2.6 ttm -104.56 125.95 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 tp -112.48 144.6 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -104.34 136.05 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt -144.05 150.35 48.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.65 0.738 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 -174.81 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.772 2.315 . . . . 0.0 112.348 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -112.69 117.04 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -89.95 40.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -142.98 153.72 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.467 HD22 ' N ' ' A' ' 115' ' ' LEU . 4.0 mm? -52.16 -60.5 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.52 112.16 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . 12.8 mtp-105 -59.42 144.97 45.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.828 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -166.63 161.94 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -93.05 97.04 10.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.437 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 88.4 mmm -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -150.33 160.63 43.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.88 132.27 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.408 ' CG2' HG13 ' A' ' 42' ' ' ILE . 14.5 tt -112.97 137.4 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -151.11 142.63 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -70.66 152.41 43.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.6 -50.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.73 118.31 4.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p-10 -82.42 43.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 11.5 m -44.39 -53.32 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.8 154.59 58.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 148.18 64.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.399 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 167.98 22.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.404 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -83.45 154.87 66.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.56 12.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.314 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.39 153.23 62.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -171.79 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.0 m -56.98 -56.96 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 151.99 -160.69 28.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.74 4.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.6 t -57.54 139.68 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.3 p -95.74 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m 58.03 42.47 22.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -154.6 143.41 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -92.9 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 m -88.06 42.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -47.82 -43.41 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.82 47.27 91.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.8 -43.67 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.33 -47.43 86.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -59.69 -43.12 94.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.44 -32.03 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.6 mt -63.61 -46.21 86.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 31.1 mt -65.34 -44.59 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 85' ' ' LEU . 29.2 m -65.23 -44.65 87.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.07 -36.83 81.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD22 ' CE2' ' A' ' 125' ' ' TYR . 9.9 tp -60.28 -48.29 82.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.41 -40.61 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -57.95 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.4 m-70 -101.57 13.29 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.6 mt-10 39.75 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -176.71 131.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' HA ' ' A' ' 36' ' ' LEU . 31.2 pt -145.74 159.36 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -113.76 123.48 49.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.777 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.08 160.91 31.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 111.084 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' CG ' ' HE ' ' A' ' 48' ' ' ARG . 53.2 Cg_endo -69.78 174.24 9.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.495 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 2.2 t-105 -62.33 -40.14 95.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.417 ' N ' ' HD3' ' A' ' 48' ' ' ARG . 0.1 OUTLIER -76.71 -36.32 57.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.16 -50.19 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.55 -46.5 88.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -70.93 -33.53 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -57.45 -48.96 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.666 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 43.4 m-85 -67.97 -39.21 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.27 99.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.72 -49.2 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 5.8 tppt? -60.47 -38.33 83.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 21.3 tp -58.54 -49.16 78.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.982 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 39.8 mm -61.1 -38.56 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.05 -42.47 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.494 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 45.2 m-85 -71.1 -41.2 70.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.54 -40.56 96.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.418 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 7.8 mtpm? -54.67 -29.61 53.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.99 -34.01 77.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.62 170.83 22.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 49.6 t0 -78.69 43.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.0 t -111.98 -35.61 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.14 121.72 29.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.4 -37.89 70.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 46.5 mtm-85 -58.2 -40.92 82.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.21 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 75.7 mmm -64.49 -49.64 70.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -62.8 -43.13 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.566 ' HE1' ' CD1' ' A' ' 79' ' ' TRP . 7.4 tpt -62.64 -42.92 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.04 -37.91 78.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 12.9 t70 -72.32 -37.61 68.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -67.87 -42.58 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.666 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.92 -48.19 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.4 mt -101.57 104.56 15.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 p -68.88 -38.0 79.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -52.83 110.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 20.1 mmtp -64.03 -17.69 63.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.5 t70 -88.5 -31.56 18.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD1' HG22 ' A' ' 34' ' ' THR . 24.5 mt -75.22 -32.2 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.593 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 52.3 mt -57.41 -53.53 64.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.79 -41.41 4.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.448 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 37.2 tttt -63.66 -44.36 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 93' ' ' LEU . 10.3 tp -55.65 -35.14 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -81.14 -21.74 39.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -112.01 15.47 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.448 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 41.5 t -134.2 -69.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 HD11 ' CD1' ' A' ' 89' ' ' LEU . 39.9 mt -76.83 -45.7 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.569 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -44.53 -55.59 9.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.722 . . . . 0.0 111.077 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.7 -23.27 31.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 0.0 112.375 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -73.67 -48.05 35.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 36.0 m-85 -103.64 40.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -75.8 -46.03 32.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' GLN . 9.6 t70 -81.38 -41.07 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ASP . 6.3 mm100 -35.72 142.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -120.74 41.65 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.79 122.43 2.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.32 83.28 1.56 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -104.59 -42.77 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.2 p -106.28 158.76 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -119.19 134.01 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.495 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 5.6 ttt -105.91 122.23 45.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 55.7 tp -114.51 148.5 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.62 128.54 49.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.5 pt -130.97 151.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.51 12.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -73.69 172.1 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -120.09 -52.23 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.83 163.64 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 pp -44.75 -43.83 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -68.18 127.43 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -71.87 89.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.25 140.12 35.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.86 104.44 9.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.8 mmm -118.08 152.56 35.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.63 156.43 42.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.05 130.49 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.7 tt -117.71 141.09 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -150.89 143.83 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.556 ' CE2' HD22 ' A' ' 36' ' ' LEU . 10.4 m-85 -67.09 149.8 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -83.4 78.24 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -139.61 175.45 21.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -97.23 77.45 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 43.9 t -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.6 mt -94.04 153.08 40.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 110.3 2.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 177.0 5.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.348 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 pp -142.16 152.32 61.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.294 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 135' ' ' LEU . 4.4 pp -56.94 150.35 39.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 168.63 20.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 116.59 7.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.46 166.39 31.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 93.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.7 m -90.8 86.7 6.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -60.68 115.22 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.552 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -72.26 169.88 15.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p -95.3 149.16 21.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.73 165.97 39.69 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -125.38 97.02 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -105.42 -51.68 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.31 89.14 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.6 OUTLIER -60.75 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD23 ' CE2' ' A' ' 55' ' ' TYR . 9.1 tp -65.41 -47.01 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -62.26 -37.14 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -66.94 -36.77 82.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 17.7 mt -65.2 -44.51 88.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.46 -44.51 96.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.0 m -65.65 -46.89 77.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.21 81.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD22 ' CE2' ' A' ' 125' ' ' TYR . 11.0 tp -59.8 -48.11 83.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 99.0 t -66.36 -40.48 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -59.07 -52.33 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.9 m-70 -98.59 8.91 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' LEU . 91.5 mt-10 39.61 24.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 ttp85 -178.1 131.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.3 pt -146.1 159.37 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -105.0 118.77 37.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.32 161.02 30.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 170.62 16.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.9 t-105 -62.27 -42.7 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.31 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.425 ' HG2' ' CD1' ' A' ' 32' ' ' LEU . 8.1 tpp85 -76.68 -37.55 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.67 -51.28 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.85 -48.84 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.22 -46.6 89.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.474 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 2.5 ppp? -71.43 -32.82 68.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.474 ' N ' ' HG3' ' A' ' 52' ' ' MET . 19.1 ttp180 -57.99 -44.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -43.33 99.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.565 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.656 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.9 m-85 -69.73 -42.47 73.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.921 0.391 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.31 96.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.49 -49.16 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.2 -48.04 83.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.4 mm -58.5 -42.27 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -58.89 -42.08 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.56 -44.9 92.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.73 87.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -55.33 -30.86 61.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.94 -37.28 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.22 169.53 11.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.44 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.7 p30 -84.75 -22.19 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.48 HG21 ' N ' ' A' ' 69' ' ' ASN . 8.0 t -67.52 -32.32 73.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.48 ' N ' HG21 ' A' ' 68' ' ' THR . 18.3 t-20 -56.82 117.32 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -58.05 -42.65 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -59.73 -44.19 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.7 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.8 -48.9 78.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -66.22 -38.73 88.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.458 ' HE2' ' NE1' ' A' ' 79' ' ' TRP . 1.2 tmt? -66.55 -45.24 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -72.14 -38.51 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.5 -43.34 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.9 m95 -80.25 -47.98 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -99.32 125.01 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.2 p -85.86 -34.26 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -55.54 110.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 49.3 mmtt -64.76 -20.7 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 33.3 t70 -87.63 -31.78 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.8 mt -73.84 -31.04 63.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.567 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 17.5 mt -57.79 -55.08 48.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.8 -40.7 4.95 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 89' ' ' LEU . 3.9 tmtt? -62.78 -45.93 90.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.474 ' N ' ' HD3' ' A' ' 88' ' ' LYS . 13.7 tp -57.22 -35.13 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.44 ' CD2' ' HA ' ' A' ' 67' ' ' ASP . 5.8 m-85 -81.3 -19.86 42.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -110.28 11.0 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 20.8 t -131.99 -72.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 89' ' ' LEU . 40.7 mt -70.52 -45.01 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.544 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.94 -56.86 10.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.078 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.74 -40.17 5.68 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.19 -39.75 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.533 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 31.7 m-85 -87.15 -43.19 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' TYR . 19.8 tttm -34.7 -42.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.48 -49.28 22.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -51.04 176.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -128.09 39.18 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.32 177.16 14.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.13 90.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.533 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 3.7 m-85 -107.91 -49.77 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.445 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.7 p -106.34 154.48 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -127.82 139.65 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.468 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 6.9 ttt -107.2 135.44 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.8 tp -125.3 142.73 51.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -98.08 137.38 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.0 pt -137.91 151.03 69.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 166.65 26.86 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -48.51 172.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -129.87 -55.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.3 p -115.36 -57.32 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.7 tp -63.26 156.32 25.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.8 -44.07 61.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 117' ' ' ARG . 0.6 OUTLIER -124.38 87.53 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.4 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -114.5 89.62 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.1 mmm -97.42 155.85 16.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.75 161.13 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.37 132.37 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.0 tt -116.5 140.08 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.94 145.4 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.553 ' CE2' HD22 ' A' ' 36' ' ' LEU . 12.0 m-85 -73.19 129.48 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 125' ' ' TYR . 7.8 tmtm? -35.73 -50.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.77 85.82 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -129.22 170.28 13.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 25.6 p -111.39 -40.77 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.6 mt -43.74 150.04 0.59 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.544 0.687 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.88 63.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.49 14.38 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.5 mt -116.09 144.08 32.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.19 150.63 55.34 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.89 69.33 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.1 t -44.73 -56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.9 85.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.42 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.73 13.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.8 m 49.21 42.92 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.6 m -118.76 -43.99 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -155.96 176.14 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -64.37 -39.65 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.0 65.02 2.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -119.14 -50.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -90.93 155.29 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.46 156.52 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 tt -64.39 -46.11 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.05 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -59.91 -42.83 94.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.53 -38.64 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.9 mt -60.3 -45.43 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.55 -44.65 95.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 m -65.55 -45.25 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.22 -36.91 80.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -59.97 -48.18 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.44 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.93 -52.28 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.5 m-70 -102.96 12.43 36.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.5 mt-10 39.62 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' HIS . 54.3 ttt-85 -177.1 131.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 pt -146.8 159.23 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -106.78 119.74 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.15 161.35 30.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.471 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.7 171.62 14.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.494 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 2.0 t-105 -62.54 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.66 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -37.03 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 95.7 t -62.27 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.81 -48.92 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.2 -45.54 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.5 ptm -70.63 -32.96 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -56.0 -47.31 77.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.34 99.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 59.0 m-85 -69.32 -38.15 78.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.75 82.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.91 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 2.9 tppt? -64.13 -38.63 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.5 tp -59.57 -47.37 85.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.497 HG23 ' CD2' ' A' ' 97' ' ' TYR . 40.1 mm -61.73 -42.08 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.24 -41.58 79.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.554 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 57.1 m-85 -65.94 -44.19 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.98 -35.77 88.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.408 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -56.33 -30.63 62.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.64 -34.37 78.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.39 169.01 19.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.25 42.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.402 HG23 ' N ' ' A' ' 69' ' ' ASN . 10.2 t -109.54 -35.35 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.402 ' N ' HG23 ' A' ' 68' ' ' THR . 36.1 m-20 -86.85 121.63 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 8.4 pt-20 -57.75 -34.89 70.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 1.3 tmm_? -61.96 -41.66 98.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 84.3 mmm -69.6 -49.63 52.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.3 ptt85 -61.44 -41.72 97.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.401 ' HE2' ' NE1' ' A' ' 79' ' ' TRP . 1.3 tmt? -64.35 -42.6 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.01 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.411 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 38.7 t0 -71.37 -34.27 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -68.46 -43.38 77.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.586 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.3 m95 -81.17 -48.14 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' CD1' HD23 ' A' ' 89' ' ' LEU . 67.5 mt -94.4 113.14 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -79.93 -29.37 39.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' CD ' HD11 ' A' ' 85' ' ' LEU . 4.1 mt-10 -64.45 108.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 26.7 mmtp -61.45 -17.68 55.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.4 t70 -88.96 -29.27 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.428 HD11 ' CD ' ' A' ' 82' ' ' GLU . 30.8 mt -75.42 -33.18 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.598 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 55.8 mt -58.05 -53.21 68.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.3 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.401 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' VAL . 9.9 ttpp -63.82 -48.16 77.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 93' ' ' LEU . 12.0 tp -55.74 -35.39 66.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -81.19 -20.71 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -112.05 12.57 20.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' LYS . 30.2 t -131.37 -73.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 89' ' ' LEU . 16.3 mt -73.67 -41.53 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.549 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -48.0 -56.5 13.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.76 -23.65 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.79 -41.05 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 55.0 m-85 -88.37 -38.84 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 26.3 tttp -33.37 -38.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' TYR . 44.0 t0 -82.96 -46.56 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' TYR . 21.2 mt-30 -51.92 175.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.7 m -127.18 40.78 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.13 -165.96 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.91 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.561 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 12.5 m-85 -99.01 -68.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.36 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -121.87 142.03 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.494 ' HE1' ' CD2' ' A' ' 46' ' ' TRP . 2.1 ttt -108.55 127.1 53.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.6 tp -115.27 145.32 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.92 126.42 44.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.46 152.0 52.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 107.66 1.9 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.83 42.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -118.5 41.93 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -96.6 -49.24 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 116' ' ' ASP . 1.2 pt? -125.48 -37.42 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.457 ' N ' ' HG ' ' A' ' 115' ' ' LEU . 71.1 m-20 -149.69 154.05 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -85.32 87.42 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.12 127.23 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -53.59 95.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.3 mmm -109.89 150.26 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.0 157.21 43.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.092 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.32 123.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.4 tt -117.34 131.4 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -147.83 155.97 42.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.67 142.05 31.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -78.43 82.01 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.08 40.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.528 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 40' ' ' GLU . 2.6 p30 -164.93 132.97 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 19.2 p -101.75 78.03 1.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.07 151.67 84.01 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 147.74 64.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.24 25.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 pp -58.61 148.61 65.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 145.83 57.86 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.54 134.87 88.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.729 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 95.16 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 58.6 m -85.51 129.39 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -175.66 143.48 6.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 143.23 50.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.0 m 47.3 43.17 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.9 m 59.17 42.4 18.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.539 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.4 p -109.24 94.41 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m 58.13 43.08 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.44 104.33 0.89 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 m 59.88 42.97 15.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' GLY . 58.2 m -108.74 94.13 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' SER . . . 34.42 42.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.98 -44.13 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.99 -46.25 88.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -63.76 -43.67 95.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.84 -31.64 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.73 -41.01 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.47 -45.21 80.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 85' ' ' LEU . 21.4 m -64.92 -46.48 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.93 -36.23 81.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 125' ' ' TYR . 6.6 tp -59.18 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.44 -40.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HE ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -61.31 -51.98 66.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' ARG . 30.9 m-70 -95.62 6.96 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.1 mm-40 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' HIS . 30.4 ttm180 -179.57 131.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.6 pt -146.83 159.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -112.38 121.0 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.93 161.16 30.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.647 2.231 . . . . 0.0 112.325 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.527 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 4.2 t-105 -52.25 -31.28 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.97 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -77.23 -35.37 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 89.9 t -66.43 -47.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.79 -48.2 75.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.88 -46.21 79.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 48' ' ' ARG . 3.4 ppp? -70.86 -32.83 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 27.6 ttm-85 -60.75 -47.1 87.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.73 -42.87 99.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.13 -39.07 79.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.85 87.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.91 -49.07 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.14 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -45.46 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 34.8 mm -62.47 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -56.76 -42.63 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 27.7 m-85 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.38 86.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.6 mtmm -54.64 -30.79 56.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.723 0.297 . . . . 0.0 110.809 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.4 mt -65.83 -34.18 77.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.69 176.21 19.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.42 ' CB ' ' HE1' ' A' ' 73' ' ' MET . 16.9 p30 -82.03 39.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -115.77 -27.42 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -81.34 127.67 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 11.0 pt-20 -63.36 -41.79 98.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 12.1 tpp85 -62.93 -44.95 94.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . . . -66.63 -46.89 74.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.42 ' HE1' ' CB ' ' A' ' 67' ' ' ASP . 9.0 mmt -61.41 -47.9 83.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 75' ' ' MET . 9.8 ptp180 -63.64 -37.05 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 14.6 mtp -65.87 -45.19 83.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.04 80.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -72.44 -37.79 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.21 -40.76 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -80.06 -44.88 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.61 116.55 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p -79.17 -19.87 49.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' CD ' HD12 ' A' ' 85' ' ' LEU . 4.5 mt-10 -70.81 96.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 7.9 mmmm -53.0 -24.64 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 18.4 t70 -83.2 -28.97 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 HD12 ' CD ' ' A' ' 82' ' ' GLU . 20.3 mt -73.92 -29.73 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.566 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 37.2 mt -57.67 -55.03 49.06 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.631 0.729 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.566 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.82 -41.48 4.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.452 ' CD ' HG22 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.79 -48.2 81.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 93' ' ' LEU . 11.9 tp -61.01 -34.91 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -79.85 -19.85 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -111.56 10.05 21.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG22 ' CD ' ' A' ' 88' ' ' LYS . 48.2 t -128.89 -73.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.476 HD11 ' CD1' ' A' ' 89' ' ' LEU . 36.6 mt -69.55 -40.35 76.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.544 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -51.85 -56.67 19.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.542 0.687 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.78 -24.83 29.15 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 7.1 tpm_? -74.91 -35.14 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.543 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 44.2 m-85 -91.78 -39.54 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.1 ttmm -34.36 -39.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.32 -47.83 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' TYR . 14.1 mt-30 -60.8 148.9 37.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.6 p -101.59 40.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.63 -174.86 19.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.92 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.543 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 -112.01 -49.5 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.571 HG23 ' CE1' ' A' ' 125' ' ' TYR . 80.8 p -106.05 155.89 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -125.72 139.69 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.527 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 5.4 ttt -106.7 122.0 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.04 141.33 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -100.81 142.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 28.5 pt -140.87 152.22 64.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.4 60.47 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.278 . . . . 0.0 112.346 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.09 98.49 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -101.05 76.84 1.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.7 m -145.3 162.04 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.28 -49.48 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -96.23 111.05 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -49.28 119.85 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.796 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.07 133.71 39.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -76.22 90.26 3.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -92.74 147.9 22.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.03 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.95 132.43 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.5 tt -120.5 141.23 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 7.3 mp0 -146.02 154.75 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.571 ' CE1' HG23 ' A' ' 105' ' ' THR . 6.7 m-85 -85.02 147.63 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -68.25 79.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.81 -168.69 14.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -129.74 38.27 3.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.2 t -73.05 -51.25 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.3 mt -110.4 151.58 42.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.69 18.28 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.61 2.207 . . . . 0.0 112.425 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.11 32.06 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.472 HD22 ' N ' ' A' ' 133' ' ' LEU . 3.9 mm? -45.19 141.45 3.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.558 0.694 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.95 10.25 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -45.38 145.05 2.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 120.78 7.5 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.3 m -67.84 -47.94 67.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.89 -166.13 11.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 170.8 15.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.617 2.211 . . . . 0.0 112.389 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.9 m -88.45 42.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.4 t -96.2 157.28 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.412 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.0 p -117.35 118.4 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -134.95 166.83 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.3 171.49 17.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -151.85 177.3 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -63.43 169.48 3.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.15 -48.38 3.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.62 -42.95 99.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 HD23 ' CE2' ' A' ' 55' ' ' TYR . 10.0 tp -61.41 -46.76 88.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -60.01 -42.98 95.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.15 -31.94 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.36 -43.73 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.06 -44.44 84.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 85' ' ' LEU . 11.8 m -65.08 -45.15 86.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.97 -36.8 82.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.602 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 40' ' ' GLU . 6.5 tp -60.31 -47.91 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.35 -40.22 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' HD2' ' NE2' ' A' ' 39' ' ' HIS . 46.9 ttm-85 -55.49 -52.27 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.7 m-70 -104.42 13.6 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 57.4 mt-10 39.78 24.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 1.5 tmm_? -177.29 131.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.6 pt -146.79 159.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.59 121.51 43.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.1 161.34 30.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.572 0.701 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.453 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 54.1 Cg_endo -69.71 171.4 14.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.44 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 4.4 t-105 -62.27 -42.12 99.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.453 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 5.0 mmp_? -76.74 -33.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 19.8 t -64.95 -53.11 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.35 -48.73 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.25 -45.6 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.434 ' CE ' HD23 ' A' ' 36' ' ' LEU . 16.3 ptm -70.77 -32.94 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.6 99.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.527 ' CE2' HD23 ' A' ' 29' ' ' LEU . 50.6 m-85 -69.97 -38.75 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.988 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.7 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.17 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.9 -49.29 76.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.5 tppp? -59.65 -38.21 80.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.38 -47.74 84.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.434 ' CD1' HD12 ' A' ' 93' ' ' LEU . 36.7 mm -59.13 -42.33 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 25.6 m-85 -68.06 -43.7 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.53 88.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -54.44 -29.68 50.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.75 -40.08 94.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.8 175.16 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.49 -17.63 47.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.808 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 p -82.8 23.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.512 ' OD1' ' CG ' ' A' ' 71' ' ' ARG . 2.1 t-20 -105.57 121.56 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.43 -48.33 70.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CG ' ' OD1' ' A' ' 69' ' ' ASN . 9.2 ptp180 -63.29 -42.82 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.496 ' N ' ' HG3' ' A' ' 71' ' ' ARG . . . -66.99 -42.1 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.6 mmt -61.26 -49.1 78.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 75' ' ' MET . 23.9 ptt180 -64.68 -39.74 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.508 ' HE2' ' CD1' ' A' ' 79' ' ' TRP . 7.0 tpt -67.18 -45.06 78.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.13 78.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 14.1 t0 -72.27 -41.0 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -63.59 -44.05 95.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.5 m95 -80.63 -48.2 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.5 mt -98.29 114.64 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -79.01 -24.63 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.474 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.5 mmmm -54.76 -16.03 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.452 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.04 -34.27 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 34' ' ' THR . 32.8 mt -74.2 -28.19 61.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.578 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 39.7 mt -58.66 -54.59 54.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.75 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.6 Cg_endo -69.83 -41.32 4.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -64.14 -48.43 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 93' ' ' LEU . 11.8 tp -56.71 -34.44 67.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -80.97 -19.92 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.76 12.37 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.453 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 55.1 t -133.18 -72.3 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 22.9 mt -66.37 -44.29 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.534 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -50.62 -57.16 14.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.715 . . . . 0.0 111.169 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.4 Cg_endo -69.68 -26.64 27.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -75.08 -33.09 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 44.4 m-85 -91.84 -37.38 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' TYR . 14.4 tttp -33.98 -40.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.51 -45.79 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.445 ' NE2' ' HD3' ' A' ' 126' ' ' LYS . 5.2 mm100 -39.05 154.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.5 t -109.08 39.01 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.89 -176.1 16.87 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.441 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 49.18 89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.566 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -98.52 -44.56 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 0.0 110.895 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.537 HG21 ' CE1' ' A' ' 125' ' ' TYR . 71.0 p -106.09 164.7 11.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -138.58 137.66 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.44 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 2.0 ttt -105.5 133.01 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.4 tp -127.01 142.17 51.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -101.11 135.19 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.76 145.52 53.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.707 2.271 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -147.33 163.36 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.431 ' HB3' ' CB ' ' A' ' 116' ' ' ASP . 15.9 ttm180 -44.12 166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.2 t -58.06 -60.32 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -96.27 46.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.431 ' CB ' ' HB3' ' A' ' 113' ' ' ARG . 32.3 t70 -133.97 80.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -67.93 85.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.55 174.25 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -133.35 19.04 3.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.9 mtp -42.84 152.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -148.78 161.01 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.11 125.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 18.6 tt -117.7 132.19 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.61 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.537 ' CE1' HG21 ' A' ' 105' ' ' THR . 38.8 m-85 -78.81 132.32 36.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.445 ' HD3' ' NE2' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -37.82 -37.49 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.16 55.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -96.34 141.82 29.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 64.0 m -128.15 89.15 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 93.1 mt -129.03 153.6 80.31 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.602 0.715 . . . . 0.0 110.959 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 111.67 2.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 141.16 44.66 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.402 ' C ' HD11 ' A' ' 133' ' ' LEU . 1.8 pp -116.12 152.67 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 104.93 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 tp -115.8 116.07 40.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.79 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.2 p -98.32 -35.68 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 43.03 -155.02 0.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.52 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.394 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.8 m -130.87 121.43 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.6 p -97.6 132.33 43.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.499 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -46.51 131.59 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.8 p -167.9 143.65 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.73 -39.86 0.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -39.22 -59.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 t -130.27 152.62 49.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' SER . . . 37.94 58.93 1.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.455 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 29' ' ' LEU . 4.0 pp -67.0 -39.84 87.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.9 mt -59.87 -47.84 84.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -65.86 -35.61 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.93 -45.28 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.442 HD12 ' CE3' ' A' ' 79' ' ' TRP . 50.2 mt -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -64.6 -48.61 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.18 87.82 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.2 tp -59.41 -46.79 87.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.06 -40.51 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -55.88 -52.13 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -102.75 11.53 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 21.7 mt-10 40.14 25.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 20.2 ttp85 -177.73 131.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.8 pt -147.28 159.46 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 37.5 tt0 -102.95 120.78 41.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.407 ' C ' ' HE1' ' A' ' 120' ' ' MET . . . -150.7 160.78 31.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.504 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.5 Cg_endo -69.77 171.84 13.73 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.524 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 6.7 t-105 -62.36 -45.39 93.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.78 85.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.6 mmp_? -76.82 -32.86 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 62.2 t -65.93 -52.72 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.44 -48.64 76.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.8 -46.04 88.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 15.4 ptm -70.84 -33.26 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -56.33 -48.69 76.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.48 99.25 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.777 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 47.8 m-85 -68.41 -38.28 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.41 82.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.43 -48.95 78.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -61.15 -41.39 96.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 80' ' ' LEU . 22.7 tp -56.42 -48.42 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 45.7 mm -61.57 -39.72 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -41.36 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -68.37 -41.17 80.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.6 -36.59 90.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.82 -30.28 56.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.362 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 24.3 mt -65.66 -40.62 92.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.7 165.53 10.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 8.4 p-10 -81.23 -28.98 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.469 HG21 ' N ' ' A' ' 69' ' ' ASN . 11.3 t -64.1 -28.91 70.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' N ' HG21 ' A' ' 68' ' ' THR . 9.3 m-20 -55.47 114.93 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.7 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.65 -44.96 86.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.46 -49.19 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -57.11 -47.82 80.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.415 ' HE3' ' NE1' ' A' ' 79' ' ' TRP . 1.5 tmt? -61.22 -39.06 88.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.99 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -72.29 -39.49 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.32 -44.45 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.777 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.4 m95 -81.35 -47.43 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD1' HD23 ' A' ' 59' ' ' LEU . 20.3 mt -102.32 129.03 48.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.1 p -87.88 -52.27 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.68 111.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 p-10 -88.42 -32.66 18.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 mt -74.38 -30.12 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.577 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 23.9 mt -58.82 -55.01 50.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.5 Cg_endo -69.85 -41.06 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.275 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' CG ' HG23 ' A' ' 92' ' ' VAL . 24.6 tttp -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.46 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.8 tp -57.55 -34.97 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.538 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 8.8 m-85 -81.32 -19.12 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.65 11.42 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.466 HG23 ' CG ' ' A' ' 88' ' ' LYS . 23.8 t -131.1 -73.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' N ' HG11 ' A' ' 92' ' ' VAL . 54.2 mt -72.6 -43.89 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.55 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.89 -56.42 11.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.135 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.3 Cg_endo -69.81 -35.08 13.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.293 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -62.46 -43.71 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.563 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 59.4 m-85 -86.21 -37.53 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -34.14 -41.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.38 -45.24 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' NE2' ' CD1' ' A' ' 97' ' ' TYR . 27.8 mt-30 -49.28 171.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.5 m -118.54 41.22 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.77 -170.71 13.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 56.95 89.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.563 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 6.3 m-85 -105.81 -47.28 3.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.013 0.435 . . . . 0.0 110.978 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -111.59 151.03 29.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' NE ' ' HZ1' ' A' ' 126' ' ' LYS . 3.9 tpp85 -121.68 136.38 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.524 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 5.7 ttt -106.45 120.33 41.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.0 tp -115.84 146.49 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 138.35 41.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.8 pt -136.39 146.84 57.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.4 2.89 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -144.43 173.72 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -60.78 136.76 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.4 t -55.24 -50.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.94 -63.91 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.46 86.49 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -72.89 118.07 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -160.51 166.52 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.57 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.456 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 84.3 mmm -120.22 149.8 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -143.1 160.98 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 88.8 t -114.87 129.31 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 20.0 tt -116.69 131.67 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -148.73 147.9 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.2 152.48 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.437 ' HZ1' ' NE ' ' A' ' 106' ' ' ARG . 26.6 mtpp -80.27 82.55 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.11 80.23 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -170.16 135.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.07 33.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.7 153.85 69.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.42 53.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.427 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 139.21 39.84 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.749 2.299 . . . . 0.0 112.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.15 143.61 57.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 110.973 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 113.0 3.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.43 153.06 95.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 137.36 35.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 m 61.19 43.46 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -139.71 176.96 20.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.05 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -168.8 140.96 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 81.0 p -118.77 152.16 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.459 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.6 p -113.02 -37.76 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -125.18 -62.88 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.44 -141.54 3.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -75.38 94.8 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.5 p -84.28 -43.76 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.22 46.8 1.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt -77.01 -40.37 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.44 -48.54 77.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.12 -33.9 76.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.24 -45.71 59.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.76 -44.52 90.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.443 HG23 ' CD1' ' A' ' 85' ' ' LEU . 91.4 m -64.37 -45.28 88.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.81 83.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.439 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.6 tp -59.86 -48.25 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.64 -40.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.43 -52.33 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -104.77 14.06 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 63.4 mt-10 39.49 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 38.0 ttm180 -177.76 131.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.446 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.0 pt -146.79 159.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.83 119.62 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -149.97 161.37 31.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 167.19 25.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.332 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.421 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 1.9 t-105 -57.12 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.9 97.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -76.5 -36.52 57.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' CG1' ' HE1' ' A' ' 107' ' ' MET . 27.0 t -63.07 -50.71 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.33 -47.27 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -62.05 -46.09 90.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.463 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 1.8 ppp? -70.97 -33.02 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' N ' ' HG3' ' A' ' 52' ' ' MET . 27.1 mtm180 -57.56 -50.12 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -43.73 98.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE1' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 m-85 -67.22 -38.84 85.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.82 98.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.05 -49.07 77.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.46 -44.41 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.6 tp -54.63 -46.55 73.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.5 mm -62.51 -38.66 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.85 -44.62 82.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.402 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 53.5 m-85 -69.14 -39.32 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.02 -35.67 87.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 38.9 mttp -54.51 -30.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.63 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.07 175.9 25.51 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.78 39.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -109.24 -38.36 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.1 114.78 19.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.2 pt-20 -53.87 -48.36 70.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -56.99 -42.71 80.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.11 83.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.573 ' HE1' ' CZ ' ' A' ' 90' ' ' PHE . 16.0 mmt -66.92 -40.02 87.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 22.9 mmm-85 -55.79 -51.21 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -60.78 -45.59 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.34 96.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -72.27 -36.43 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.91 -45.05 87.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.584 ' CZ2' ' CE1' ' A' ' 55' ' ' TYR . 97.2 m95 -81.96 -47.46 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 47.3 mt -96.45 98.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -64.58 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -53.3 106.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.2 mmtp -59.36 -26.29 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -82.21 -27.44 32.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.443 ' CD1' HG23 ' A' ' 34' ' ' THR . 17.2 mt -74.26 -33.24 63.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.569 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 31.5 mt -54.85 -54.64 47.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 88' ' ' LYS . 0.7 OUTLIER -60.27 -48.22 82.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 93' ' ' LEU . 7.8 tp -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.573 ' CZ ' ' HE1' ' A' ' 73' ' ' MET . 8.5 m-85 -80.95 -19.18 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -111.11 9.91 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.1 t -129.19 -74.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' CD1' HD12 ' A' ' 89' ' ' LEU . 43.7 mt -69.9 -40.89 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.535 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -49.93 -57.06 13.64 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.78 -29.74 23.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -66.84 -42.15 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.427 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 88.1 m-85 -106.58 38.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -45.86 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 100' ' ' GLN . 19.0 t70 -86.92 -43.85 12.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 99' ' ' ASP . 4.7 mm100 -34.27 140.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 p -120.07 39.81 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.06 158.44 8.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.76 85.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.25 -42.28 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.9 p -105.98 159.31 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.03 138.59 52.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.421 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 2.2 ttt -108.05 128.26 54.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.5 tp -125.3 144.66 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -102.94 128.42 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.1 pt -121.13 142.31 34.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -169.0 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -73.32 156.08 38.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -131.96 -46.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -118.29 -56.32 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -98.86 147.94 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 117' ' ' ARG . 4.2 p-10 -38.02 157.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.8 ptp180 -34.13 142.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -167.96 176.23 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -68.06 98.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.481 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -142.94 136.24 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.879 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.71 160.27 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.59 133.41 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.6 tt -118.66 138.2 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.62 149.04 29.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -75.93 137.57 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -37.34 -54.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.28 61.49 4.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -75.73 -51.63 12.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 74.5 m 57.4 40.18 27.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.4 mt -101.55 154.07 37.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.19 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.99 18.6 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -109.13 142.94 26.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 107.24 1.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.7 mt -81.09 140.25 49.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.79 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.9 t -80.92 47.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -44.67 116.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -2.74 10.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.278 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 141' ' ' SER . 46.4 m 62.39 45.95 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 140' ' ' SER . 89.4 p 34.45 43.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.439 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 72.33 41.93 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 132.95 55.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.07 164.35 14.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -163.33 -175.66 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 m -54.77 -175.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.87 33.9 2.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.7 -35.09 70.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 110.911 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 1.4 tt -67.06 -47.09 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -59.85 -39.49 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.95 -42.45 97.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.16 -45.16 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 m -66.43 -46.63 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.06 -36.46 90.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD23 ' CE2' ' A' ' 125' ' ' TYR . 17.4 tp -60.23 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.64 -40.44 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -56.96 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.7 m-70 -101.54 10.76 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.2 mt-10 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 3.4 tmm_? -178.08 131.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.1 pt -146.98 159.46 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' CD ' ' HE2' ' A' ' 120' ' ' MET . 28.2 tt0 -103.84 121.05 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.17 158.18 34.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 166.2 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.411 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.525 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 5.8 t-105 -55.83 -41.97 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.23 91.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -76.48 -38.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG12 ' CE ' ' A' ' 107' ' ' MET . 39.1 t -60.66 -53.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.92 -48.05 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.26 -46.83 87.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.475 ' CE ' HD21 ' A' ' 36' ' ' LEU . 2.5 ppp? -70.84 -32.57 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' N ' ' HG3' ' A' ' 52' ' ' MET . 45.0 ttt180 -56.54 -43.97 80.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.12 98.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.557 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.0 m-85 -71.12 -41.82 70.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.936 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.2 99.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.19 -49.34 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 11.1 tptm -60.85 -42.74 98.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.0 tp -55.23 -49.3 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.6 mm -60.74 -38.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.24 -44.19 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.409 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 51.2 m-85 -71.19 -39.92 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.69 -37.99 93.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -54.83 -30.41 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.7 -34.02 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.08 171.03 20.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.438 ' CB ' ' HE1' ' A' ' 73' ' ' MET . 4.3 p30 -80.34 42.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -107.93 -39.98 5.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -82.01 130.56 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -62.45 -37.37 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -58.63 -43.94 89.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.22 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.438 ' HE1' ' CB ' ' A' ' 67' ' ' ASP . 9.1 mmt -62.88 -49.85 73.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 75' ' ' MET . 7.2 ptm180 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.41 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 31.8 mmm -63.85 -45.15 90.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.92 76.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.465 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 20.8 t70 -71.72 -34.58 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -76.65 -42.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 72.6 m95 -80.72 -48.65 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.5 mt -101.04 114.57 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -75.56 -30.34 59.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -59.56 97.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.7 mmtm -56.38 -20.62 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 7.6 t70 -86.06 -35.94 19.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 28.0 mt -73.28 -25.47 60.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.574 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 50.8 mt -60.2 -55.25 47.22 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.4 Cg_endo -69.78 -41.5 4.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 14.3 ttpt -60.62 -47.14 87.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 93' ' ' LEU . 14.2 tp -57.58 -35.35 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.48 -19.82 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -111.66 9.96 21.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.463 ' CG2' ' HG2' ' A' ' 88' ' ' LYS . 15.9 t -128.66 -73.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 40.2 mt -72.37 -42.63 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.547 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -47.9 -56.84 11.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.5 Cg_endo -69.67 -41.05 4.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -56.58 -44.65 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 36.1 m-85 -85.47 -37.87 19.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.9 -39.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.89 -49.16 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -53.83 169.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 19.1 m -111.96 42.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 104' ' ' TYR . . . 117.77 -157.8 14.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 49.69 87.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 -112.95 -46.71 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.375 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.7 p -105.84 156.28 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -130.3 137.72 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.525 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 5.4 ttt -109.63 136.77 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 tp -130.35 142.85 50.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -91.74 138.97 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 29.1 pt -144.45 151.84 51.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.81 55.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . 0.475 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 0.6 OUTLIER -66.71 130.62 43.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -128.05 -62.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.2 m -50.91 -46.69 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.8 tp -125.57 161.01 28.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -107.3 99.26 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.6 110.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -65.04 87.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.419 ' HE2' ' CD ' ' A' ' 43' ' ' GLU . 22.2 mtp -78.31 156.56 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.15 161.11 43.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.115 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 71.9 t -122.23 137.31 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 14.8 tt -126.86 132.67 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.76 146.02 26.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.535 ' CE2' HD23 ' A' ' 36' ' ' LEU . 33.5 m-85 -72.18 152.47 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.97 80.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.41 -114.62 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -54.82 155.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 78.0 m -119.98 98.24 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -67.0 152.83 95.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 117.12 4.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.96 22.36 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 pp -89.63 152.4 47.0 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.726 0.774 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.56 5.75 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 pp -59.36 137.2 88.89 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -39.27 6.77 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.38 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 8.5 t -89.54 98.02 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -139.41 -169.23 11.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.423 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.97 29.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 66.1 p -142.64 112.11 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -45.9 -53.78 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -116.01 172.76 6.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.6 m -44.39 151.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.45 104.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.547 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.17 83.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -106.06 40.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.14 61.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.35 -38.56 50.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.572 HD23 ' CZ3' ' A' ' 79' ' ' TRP . 15.0 tp -65.33 -48.04 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.94 -35.73 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 35.5 mt -69.49 -44.57 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.1 -44.66 87.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -64.33 -42.25 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.86 81.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.0 tp -61.31 -46.06 91.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.05 -40.77 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -59.37 -52.28 66.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.4 m-70 -99.9 12.71 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' LEU . 45.3 mt-10 39.68 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' CZ ' ' CG1' ' A' ' 122' ' ' VAL . 64.0 ttt-85 -176.92 131.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 28.8 pt -144.97 159.06 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -100.97 118.79 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.47 154.26 33.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.686 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.505 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.8 Cg_endo -69.68 174.3 9.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.516 ' CD2' ' HE2' ' A' ' 107' ' ' MET . 3.8 t-105 -62.76 -46.07 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.62 81.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -76.83 -34.6 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 49.2 t -62.62 -53.27 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.84 -48.56 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.61 -46.35 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.4 ptm -70.46 -34.41 72.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -56.18 -43.26 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.46 -43.36 99.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' CD2' HD22 ' A' ' 29' ' ' LEU . 54.9 m-85 -71.64 -42.38 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.99 92.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.63 -49.06 72.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -62.07 -39.4 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 26.5 tp -58.12 -49.19 77.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.5 mm -61.12 -39.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -56.66 -45.03 81.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 35.0 m-85 -66.89 -38.43 86.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.472 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.84 -35.26 86.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -53.98 -30.64 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.45 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 27.5 mt -65.74 -32.05 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.49 178.25 21.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.5 38.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -111.71 -36.26 5.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.45 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 17.3 m-80 -74.14 118.39 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.24 -47.6 78.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -57.18 -43.95 83.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.18 86.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.1 -49.59 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 74' ' ' ARG . 8.7 mtp-105 -60.76 -47.12 87.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.52 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -58.38 -45.48 88.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.84 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -72.49 -33.87 67.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.96 -43.82 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.572 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 89.9 m95 -80.71 -48.13 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.7 mt -102.14 103.91 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 72.9 p -71.07 -36.01 72.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 111.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 2.0 mmmm -67.51 -14.95 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 5.3 m-20 -88.7 -34.68 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.587 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 27.6 mt -57.9 -54.29 56.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.719 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.5 Cg_endo -69.65 -41.39 4.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.418 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' CG ' HG23 ' A' ' 92' ' ' VAL . 13.0 tttp -62.7 -46.58 87.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.4 tp -55.21 -34.29 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.472 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 4.7 m-85 -81.3 -20.19 41.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.62 12.44 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG23 ' CG ' ' A' ' 88' ' ' LYS . 69.8 t -132.54 -73.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 89' ' ' LEU . 23.6 mt -73.08 -42.24 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.565 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -48.14 -55.78 16.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.501 0.667 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.69 -26.77 27.55 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.653 2.236 . . . . 0.0 112.406 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.29 -46.86 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -102.08 38.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -49.06 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -77.11 -47.05 21.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -45.4 159.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.8 m -131.6 38.72 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.28 -175.89 25.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 47.0 85.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -115.31 -38.71 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.2 p -108.55 156.69 19.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -119.75 139.5 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.516 ' HE2' ' CD2' ' A' ' 46' ' ' TRP . 4.6 ttt -107.01 126.1 51.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.07 143.24 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' C ' HG21 ' A' ' 110' ' ' ILE . 5.1 pt20 -97.19 142.63 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.407 HG21 ' C ' ' A' ' 109' ' ' GLN . 42.8 pt -146.23 151.41 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.84 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.56 124.01 20.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.71 -60.56 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -73.33 178.33 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.9 44.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.68 176.58 10.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -90.94 124.67 35.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -168.26 144.54 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.73 102.17 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 88.8 mmm -110.08 155.72 21.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.31 157.54 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.512 ' CG1' ' CZ ' ' A' ' 41' ' ' ARG . 88.1 t -116.81 130.68 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.2 tt -117.5 135.24 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -150.75 150.19 30.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -75.6 138.76 41.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -84.32 83.75 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.11 -42.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -133.6 142.34 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 35.9 m -73.89 82.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 46.3 mt -51.24 154.32 2.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.642 0.734 . . . . 0.0 110.929 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.284 . . . . 0.0 112.326 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 116.97 4.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.2 pp -86.87 150.86 51.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.97 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 105.0 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.762 2.308 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 136' ' ' PRO . 1.3 tp -72.62 -60.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.468 ' N ' ' HG ' ' A' ' 135' ' ' LEU . 54.0 Cg_endo -69.71 155.42 66.15 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.8 t -78.82 144.16 35.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.22 -177.61 21.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 136.59 33.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.8 p -88.62 -39.06 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.5 m 57.17 44.8 21.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -90.43 42.22 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -163.48 120.15 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 47.49 55.89 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.5 m -139.2 161.23 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -48.79 122.16 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.96 95.39 0.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.01 -46.5 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -46.96 88.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -59.71 -40.27 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -67.54 -36.89 81.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.54 -41.49 98.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.16 -44.76 83.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' CD1' ' A' ' 85' ' ' LEU . 20.4 m -65.71 -42.65 90.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.79 81.39 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.5 tp -62.46 -46.44 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.84 -40.64 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.0 -52.29 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.6 m-70 -104.03 14.61 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.7 pt-20 39.71 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.4 ttt-85 -176.93 131.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.39 159.32 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.9 122.71 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.8 161.76 29.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.507 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 53.6 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.513 ' CE2' ' HE2' ' A' ' 107' ' ' MET . 3.5 t-105 -60.93 -45.93 92.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.44 79.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.424 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 17.0 mmp_? -76.48 -36.45 57.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 89.8 t -62.29 -53.55 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.42 -49.21 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -46.22 86.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 ptm -71.53 -33.14 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -54.85 -46.6 74.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.9 98.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 38.8 m-85 -68.26 -41.18 81.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.04 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.01 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -61.32 -42.04 98.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.8 tp -57.31 -46.32 83.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.51 -40.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -57.57 -43.73 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 41.2 m-85 -71.32 -38.94 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.428 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.14 -41.32 96.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 6.5 mtpm? -54.86 -30.12 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.63 169.02 20.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.47 40.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.4 p -112.35 -37.01 5.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -76.29 121.83 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -54.26 -46.93 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -57.02 -42.91 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.28 -44.17 88.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.84 -38.74 86.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -58.4 -49.88 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmm -61.62 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.25 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.1 -37.86 69.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -73.54 -43.94 58.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 14.6 m95 -78.46 -46.54 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 ' CD1' HD21 ' A' ' 89' ' ' LEU . 25.4 mt -107.72 119.75 40.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -80.83 -37.21 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.07 110.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.7 mmtt -62.35 -26.57 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 75.1 m-20 -81.87 -29.73 32.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 ' CD1' HG23 ' A' ' 34' ' ' THR . 18.7 mt -73.31 -33.22 65.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.57 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 19.2 mt -54.14 -55.43 36.74 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.73 -41.01 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.282 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.89 -45.31 95.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 80' ' ' LEU . 12.2 tp -61.29 -34.5 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 3.9 m-85 -79.99 -18.99 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -111.17 8.66 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 36.2 t -128.72 -71.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 89' ' ' LEU . 46.0 mt -72.82 -45.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.555 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -45.17 -56.24 9.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.73 -22.93 31.5 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.746 2.298 . . . . 0.0 112.321 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -73.93 -47.9 34.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 87.3 m-85 -91.34 30.81 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -52.55 49.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.76 -49.71 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.16 130.93 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.4 p -134.87 47.58 2.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.08 -40.15 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -118.05 89.35 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 11.0 m-85 -94.72 -45.73 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.0 p -107.97 162.76 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -121.82 142.0 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.513 ' HE2' ' CE2' ' A' ' 46' ' ' TRP . 5.5 ttt -103.96 120.07 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 tp -112.19 142.4 44.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -102.13 125.81 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.47 151.64 70.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 111.179 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 173.84 10.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -69.14 143.34 54.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' SER . 6.0 tpt85 -69.63 159.36 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' ARG . 25.8 m -34.26 -48.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.9 177.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.36 157.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -50.82 151.31 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -174.93 148.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -80.05 98.66 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -112.57 153.84 26.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.01 161.11 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.45 135.98 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.3 tt -114.73 130.02 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -127.53 145.31 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 105' ' ' THR . 3.3 m-85 -85.11 129.94 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -62.74 79.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -134.74 -48.87 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.6 172.63 16.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 48.3 t -105.51 92.86 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.6 mt -49.62 156.05 1.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 118.78 5.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 156.34 63.52 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -112.54 152.3 44.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 105.13 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.579 ' C ' ' CD2' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -57.23 148.55 51.96 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.464 ' N ' HD22 ' A' ' 135' ' ' LEU . 53.5 Cg_endo -69.68 109.07 2.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' PRO . 99.3 p -37.64 156.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -178.99 -149.05 8.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.26 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.8 m -99.24 -60.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.4 p 51.34 42.1 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.0 p -155.05 163.11 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.4 t -122.07 85.22 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.69 -96.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.2 p -75.37 137.68 41.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.878 0.37 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -46.42 107.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.38 74.6 0.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -48.29 33.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 mt -59.27 -37.49 77.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -62.58 -40.66 97.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -68.58 -33.81 74.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.3 -45.94 85.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.436 HD13 ' CE3' ' A' ' 79' ' ' TRP . 45.6 mt -64.47 -44.38 91.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.464 HG21 ' CD1' ' A' ' 85' ' ' LEU . 11.1 m -65.49 -46.51 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.63 80.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD22 ' CE2' ' A' ' 125' ' ' TYR . 7.7 tp -59.76 -47.69 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.36 -40.79 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -56.71 -52.16 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -101.68 11.63 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mt-10 40.0 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.2 ttt180 -176.61 131.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 21.4 pt -147.23 159.26 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.78 121.88 45.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -150.67 161.1 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.131 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.464 ' HG2' ' CG ' ' A' ' 48' ' ' ARG . 54.5 Cg_endo -69.65 161.87 44.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.508 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 3.1 t-105 -52.22 -47.09 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -40.68 76.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.464 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 81.1 mmt-85 -75.99 -32.85 59.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.3 -49.25 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.97 -47.49 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -62.26 -46.89 86.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 52' ' ' MET . 2.8 ppp? -71.23 -32.85 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -57.8 -47.23 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.94 -43.26 99.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.1 m-85 -68.5 -41.6 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.3 -49.28 76.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.16 -39.96 92.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.6 tp -57.71 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 37.8 mm -59.63 -40.79 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -56.9 -42.38 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.467 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 56.0 m-85 -66.49 -43.43 85.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.42 -35.16 88.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -54.0 -30.19 46.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.24 -30.68 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.9 167.74 19.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.09 41.41 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 69' ' ' ASN . 7.7 t -115.76 -36.18 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.439 ' N ' HG23 ' A' ' 68' ' ' THR . 5.1 t-20 -77.66 116.7 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.06 -38.67 70.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -57.24 -42.17 80.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.7 mmm -60.97 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -62.4 -47.95 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.424 ' HE1' ' NE1' ' A' ' 79' ' ' TRP . 7.4 tpt -59.94 -45.13 93.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.06 74.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -71.85 -37.01 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -67.49 -41.3 84.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.727 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.8 m95 -80.74 -47.76 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 89' ' ' LEU . 25.8 mt -95.48 111.76 23.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.0 p -87.15 33.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.43 106.73 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 19.7 mmtp -58.49 -18.36 28.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 20.3 t70 -89.05 -32.07 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 34' ' ' THR . 19.3 mt -74.84 -30.96 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.583 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 25.6 mt -59.3 -54.15 59.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.583 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.74 -41.17 4.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.29 . . . . 0.0 112.341 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.478 ' CG ' HG21 ' A' ' 92' ' ' VAL . 53.2 tttt -64.58 -48.14 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.473 HD23 ' CD1' ' A' ' 80' ' ' LEU . 12.7 tp -57.83 -34.87 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 3.6 m-85 -81.21 -21.06 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -111.88 13.95 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.478 HG21 ' CG ' ' A' ' 88' ' ' LYS . 51.0 t -132.88 -73.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 89' ' ' LEU . 44.8 mt -74.1 -43.26 58.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.552 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.33 -56.55 10.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.552 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.78 -38.7 7.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -60.26 -36.96 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.558 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 25.8 m-85 -90.34 -38.92 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 32.2 tttm -34.04 -44.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -75.61 -45.91 34.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' TYR . 31.4 mt-30 -59.4 145.43 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.8 t -93.78 38.66 1.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.533 ' HA2' ' CE1' ' A' ' 104' ' ' TYR . . . 126.93 -167.51 19.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 56.14 89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.558 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -116.33 -46.59 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 65.5 p -106.31 161.66 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -135.09 134.34 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.508 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 9.4 ttt -103.96 125.15 50.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.97 141.3 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -98.24 135.31 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt -139.55 151.65 67.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.737 0.779 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 162.4 42.17 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.2 115.58 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 16.0 mtp-105 -77.64 -53.98 6.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 t -58.34 165.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 115' ' ' LEU . 4.5 mm? -64.68 -59.93 3.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -63.4 124.73 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -40.38 107.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.88 108.79 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -66.79 105.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.3 mtp -108.54 154.22 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.75 160.81 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 84.0 t -122.71 131.74 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.5 tt -122.0 138.83 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 150.26 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE2' HD22 ' A' ' 36' ' ' LEU . 14.3 m-85 -79.06 126.75 31.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -79.1 46.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.71 -56.14 1.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -123.78 175.06 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 130' ' ' LEU . 34.1 m -92.46 86.08 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 129' ' ' CYS . 53.7 mt -36.41 144.91 0.25 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 111.31 2.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 109.18 2.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.52 157.28 88.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.27 53.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 118.81 58.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.9 t -129.23 82.96 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.11 -123.33 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.78 13.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.8 t 64.36 43.86 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -81.64 156.88 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 p -137.11 151.84 49.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 t -60.31 -58.96 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.55 80.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m 45.63 46.09 11.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' GLY . 7.9 t -118.8 172.96 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.802 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -35.51 116.37 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 64.6 mt -64.81 -45.85 84.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -38.91 79.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -59.78 -41.36 90.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.14 -37.39 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.491 HD13 ' CE3' ' A' ' 79' ' ' TRP . 77.6 mt -66.12 -44.02 85.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 55.8 m -63.32 -48.24 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -36.69 77.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.4 tp -59.78 -48.5 81.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.9 t -67.07 -40.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.78 -52.11 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 20.2 m-70 -102.89 12.29 36.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' LEU . 5.0 pt-20 39.92 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.7 ttt180 -176.33 131.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.4 pt -146.61 159.14 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.42 119.91 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.14 161.26 30.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.691 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.449 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 54.6 Cg_endo -69.79 167.84 23.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.512 ' CD2' ' HE3' ' A' ' 107' ' ' MET . 3.4 t-105 -59.61 -43.7 93.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.76 97.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.442 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 24.9 mmm180 -76.29 -31.29 58.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 45' ' ' PRO . 74.3 t -70.21 -47.02 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.75 -48.17 78.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.448 ' HG3' ' N ' ' A' ' 53' ' ' ARG . 2.2 ppp? -70.93 -33.74 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' N ' ' HG3' ' A' ' 52' ' ' MET . 47.4 ttt180 -57.29 -46.78 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.21 99.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.473 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 48.3 m-85 -68.91 -39.5 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.96 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.18 -49.09 77.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -59.32 -42.58 91.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.23 -45.14 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.1 mm -61.06 -42.1 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -57.02 -44.44 82.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -66.77 -39.29 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.94 -36.31 89.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 43.0 mttp -54.77 -30.73 57.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.69 -35.83 81.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.37 160.0 11.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.78 43.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -112.92 -38.21 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -76.78 135.03 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.94 -33.75 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -66.44 -44.68 82.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.82 88.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.424 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 14.7 mmt -70.28 -49.15 52.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -63.1 -41.05 99.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.35 -42.75 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.9 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.82 -34.81 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -69.67 -42.49 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' A' ' 33' ' ' LEU . 65.9 m95 -80.86 -48.23 12.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.4 mt -98.37 120.42 38.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -86.06 -39.42 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.68 103.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.6 mmtp -53.84 -14.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.3 t0 -87.86 -32.56 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 29.9 mt -74.4 -31.48 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.582 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 27.4 mt -58.0 -54.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.67 -41.62 4.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CG ' HG22 ' A' ' 92' ' ' VAL . 27.3 tttt -63.79 -47.54 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.2 tp -54.82 -34.46 62.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.71 -23.56 39.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -112.11 16.74 20.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 88' ' ' LYS . 23.1 t -129.64 -69.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' A' ' 89' ' ' LEU . 42.5 mt -80.01 -40.43 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.551 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -46.31 -56.46 10.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.533 0.682 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 52.8 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -42.12 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.6 m-85 -110.16 41.11 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -79.17 -46.58 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.88 -44.95 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.84 113.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.1 m -85.39 43.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.75 156.98 6.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.33 76.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -112.8 -43.69 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.3 p -108.78 152.79 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -133.18 141.02 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.512 ' HE3' ' CD2' ' A' ' 46' ' ' TRP . 1.6 ttt -111.87 130.1 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 tp -119.48 141.37 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.63 137.97 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.456 HG22 ' CG2' ' A' ' 122' ' ' VAL . 31.7 pt -126.7 150.93 72.55 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 171.8 13.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -108.34 144.17 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -65.95 -51.34 59.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 m -88.83 178.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.8 mt -52.74 -55.96 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.19 89.08 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 8.5 tpt180 -98.51 153.19 18.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 117' ' ' ARG . . . -40.26 157.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 78.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 78.9 mmm -81.12 151.97 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.06 160.33 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.456 ' CG2' HG22 ' A' ' 110' ' ' ILE . 83.2 t -119.13 131.35 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.459 ' CG2' HG13 ' A' ' 42' ' ' ILE . 16.9 tt -118.47 137.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -151.06 151.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.451 ' CE1' HD11 ' A' ' 93' ' ' LEU . 15.9 m-85 -78.27 145.51 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -71.03 80.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -152.17 -92.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -81.1 178.92 8.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.08 111.71 12.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.8 mt -96.11 151.17 38.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.575 0.703 . . . . 0.0 110.931 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 137.76 35.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 162.94 40.15 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -62.9 154.48 76.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.46 40.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.16 152.25 63.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 171.16 15.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.1 t -117.08 -50.13 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 133.87 -120.06 2.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 90.05 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 57.9 m -149.54 120.97 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 62.1 m -44.22 -49.5 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.452 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -133.33 111.96 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -169.93 152.89 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.37 71.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t 49.83 48.01 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -111.71 -51.99 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.06 49.31 0.27 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.547 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.38 -48.26 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.951 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -59.02 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -64.24 -42.66 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.07 -32.52 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' CD1' ' CG ' ' A' ' 48' ' ' ARG . 29.9 mt -68.98 -41.41 77.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.05 -44.89 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.044 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -66.92 -48.11 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.24 78.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 125' ' ' TYR . 11.2 tp -59.5 -48.31 82.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.43 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -57.96 -52.21 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.2 m-70 -99.93 9.63 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 37.4 mt-10 39.67 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.3 ttp85 -177.48 131.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 10.9 pt -146.83 159.16 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.41 118.9 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.18 159.27 33.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 169.91 17.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.307 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.501 ' CE2' ' HE3' ' A' ' 107' ' ' MET . 4.1 t-105 -62.04 -33.24 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -43.44 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.565 ' CG ' ' CD1' ' A' ' 32' ' ' LEU . 8.7 tpp180 -76.69 -36.43 57.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 t -63.31 -52.53 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.14 -48.86 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.0 -45.96 86.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.458 ' CE ' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -71.16 -33.53 70.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -55.5 -45.52 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.59 -43.26 99.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.721 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 61.3 m-85 -68.89 -44.25 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.49 98.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.85 -49.08 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.13 -39.12 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.7 tp -61.19 -44.74 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 35.7 mm -61.98 -42.02 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.32 -42.76 92.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 24.6 m-85 -63.59 -45.76 88.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.99 -35.56 87.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -54.68 -30.9 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.93 -34.55 78.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.87 176.53 21.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.15 40.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 -35.86 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -82.4 117.96 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -55.41 -40.76 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.89 -38.88 87.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.89 86.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.59 -49.07 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 75' ' ' MET . 1.6 ppt_? -67.45 -38.41 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.507 ' HE2' ' CD1' ' A' ' 79' ' ' TRP . 8.5 tpt -63.0 -44.63 95.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.25 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.423 ' HA ' ' CD1' ' A' ' 86' ' ' ILE . 32.6 t0 -72.11 -37.94 69.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.36 -43.92 89.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.721 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.2 m95 -80.8 -47.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.475 ' CD1' HD23 ' A' ' 89' ' ' LEU . 29.7 mt -100.32 111.97 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.5 p -75.37 -35.72 61.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -53.94 108.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 25.0 mmtp -62.99 -20.47 65.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 4.1 p-10 -88.38 -27.93 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 17.9 mt -75.24 -33.64 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.598 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 35.5 mt -57.8 -53.02 70.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.84 -41.24 4.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.463 ' CG ' HG21 ' A' ' 92' ' ' VAL . 19.5 tttp -64.19 -43.46 95.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 80' ' ' LEU . 13.3 tp -59.64 -34.82 73.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -80.05 -20.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.86 10.49 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG21 ' CG ' ' A' ' 88' ' ' LYS . 43.0 t -129.64 -73.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 89' ' ' LEU . 31.1 mt -72.45 -41.67 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.555 ' N ' ' HD2' ' A' ' 95' ' ' PRO . . . -48.78 -56.15 16.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.569 0.7 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 94' ' ' ALA . 54.2 Cg_endo -69.79 -41.0 4.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.63 2.22 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -59.68 -38.48 81.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' LYS . 43.7 m-85 -88.48 -30.93 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -33.96 -49.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.06 -47.68 35.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -38.56 143.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.7 t -102.69 38.66 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.71 -173.05 15.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.461 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.8 89.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.443 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 5.6 m-85 -100.62 -42.68 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.544 HG21 ' CD1' ' A' ' 125' ' ' TYR . 71.1 p -105.89 162.95 13.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -142.57 141.38 31.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.501 ' HE3' ' CE2' ' A' ' 46' ' ' TRP . 5.0 ttm -108.5 143.55 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.449 ' CD2' HD23 ' A' ' 133' ' ' LEU . 20.9 tp -130.35 133.07 46.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -84.99 136.78 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt -137.15 150.92 70.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 114.91 3.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.26 41.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 -110.71 44.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -87.77 -54.47 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.49 -32.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -148.79 166.65 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 2.9 mpt_? -90.72 93.76 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.32 20.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -51.15 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.5 mmm -111.74 152.24 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.98 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.04 123.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.7 tt -114.49 137.17 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.565 ' CE2' HD21 ' A' ' 36' ' ' LEU . 23.1 m-85 -84.66 119.4 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 125' ' ' TYR . 11.9 ptmm? 34.36 36.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -39.42 115.14 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -134.43 -52.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' LEU . 1.8 m -79.62 -48.02 14.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 129' ' ' CYS . 37.7 mt -34.84 142.4 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.64 57.58 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.256 . . . . 0.0 112.307 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.86 18.3 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.627 2.218 . . . . 0.0 112.37 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.449 HD23 ' CD2' ' A' ' 108' ' ' LEU . 3.9 mm? -37.64 139.3 0.58 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.664 0.745 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 162.26 42.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 136' ' ' PRO . 7.7 tp -109.62 125.32 31.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.449 ' HD2' ' CD1' ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.79 173.93 10.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.608 2.206 . . . . 0.0 112.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.4 p -150.7 159.24 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -93.42 -160.51 35.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -37.51 9.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.3 m -155.11 118.91 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.3 p -61.57 100.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.4 tm? . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.99 -40.15 88.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -61.29 -42.89 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -65.87 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.25 -44.47 88.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 55.5 mt -63.24 -44.1 96.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.751 HG23 HD12 ' A' ' 85' ' ' LEU . 30.6 m -66.05 -43.61 86.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.46 84.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -61.64 -48.2 81.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.31 -41.17 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -55.88 -51.93 65.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ARG . 6.0 m80 -103.08 12.85 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' LEU . 70.6 mt-10 40.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -175.97 131.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 36' ' ' LEU . 29.0 pt -145.8 159.13 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' OE2' HD11 ' A' ' 110' ' ' ILE . 3.6 tm-20 -109.26 120.79 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.58 161.08 31.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.551 0.691 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.888 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.1 Cg_endo -69.83 173.88 10.39 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -61.45 -47.58 85.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.5 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.18 -37.51 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.1 t -65.14 -47.35 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.33 -48.66 74.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.96 -46.04 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.3 ppp? -70.44 -32.96 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 64.6 ttt180 -61.8 -44.8 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.25 99.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.747 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.2 m-85 -71.97 -43.81 64.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 110.916 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.37 95.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.24 -48.98 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 19.1 tptt -60.62 -39.25 87.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 80' ' ' LEU . 26.8 tp -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.598 HD13 HD11 ' A' ' 89' ' ' LEU . 41.1 mm -62.08 -42.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.17 -43.47 82.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 32.4 m-85 -69.09 -39.8 78.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -35.92 88.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.95 -30.77 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.02 -33.52 75.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.05 172.67 19.1 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -80.87 41.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -111.28 -30.5 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -86.46 131.96 34.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.88 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -60.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.48 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.0 mmt -66.22 -49.17 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -62.89 -36.89 84.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 10.5 mtp -65.97 -45.01 83.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.7 83.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.699 ' HA ' HD11 ' A' ' 86' ' ' ILE . 36.1 t0 -72.06 -36.97 69.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -72.84 -43.72 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.747 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.9 m95 -80.21 -48.1 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.658 HD11 HD21 ' A' ' 59' ' ' LEU . 14.7 mt -104.68 124.31 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.5 p -83.83 -45.66 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -41.7 102.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtm -58.07 -19.37 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 15.4 t70 -89.23 -31.01 18.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 34' ' ' THR . 19.9 mt -75.02 -29.81 60.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.4 mt -59.88 -53.94 60.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.092 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.8 -41.17 4.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' CG ' HG21 ' A' ' 92' ' ' VAL . 26.7 tttp -60.6 -45.99 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -56.44 -36.43 69.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.555 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -81.05 -19.89 42.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -111.97 13.96 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' LYS . 33.6 t -131.32 -72.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 89' ' ' LEU . 24.0 mt -76.21 -43.36 42.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.74 -56.53 8.44 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.7 Cg_endo -69.83 -35.02 13.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.1 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 38.8 m-85 -88.3 -31.09 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.8 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.959 0.409 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 125' ' ' TYR . 69.7 p -106.34 164.91 11.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -136.32 135.79 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.623 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.7 ttt -104.48 134.02 48.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.83 149.2 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -97.91 136.83 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.543 HD11 ' OE2' ' A' ' 43' ' ' GLU . 26.0 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.6 mmm . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.64 156.42 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 110' ' ' ILE . 66.7 t -114.29 131.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 52' ' ' MET . 12.2 tt -117.09 139.78 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -150.72 142.02 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.737 ' CD1' HG22 ' A' ' 105' ' ' THR . 9.5 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.873 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.5 tp -64.64 -45.41 86.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -60.12 -41.59 92.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -67.91 -32.25 72.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.5 mt -65.11 -44.69 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.76 -44.28 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.799 HG23 HD12 ' A' ' 85' ' ' LEU . 19.6 m -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.93 81.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.758 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.6 tp -60.0 -47.67 84.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.5 -40.47 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -52.11 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 6.3 m80 -102.88 11.31 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.2 mt-10 39.8 25.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.573 HH21 ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -176.97 130.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.483 ' N ' ' HE ' ' A' ' 41' ' ' ARG . 20.2 pt -146.4 159.7 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.573 ' N ' HH21 ' A' ' 41' ' ' ARG . 18.5 tt0 -102.56 118.81 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 160.9 31.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.817 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.79 171.26 14.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.46 96.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 11.8 mmm-85 -76.41 -34.77 58.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.5 t -64.95 -53.19 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.22 -48.43 78.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.76 -45.9 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.758 ' HE1' HD22 ' A' ' 36' ' ' LEU . 14.9 ptm -71.0 -33.42 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -56.48 -45.62 80.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.38 -43.57 99.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.873 ' CD2' HD21 ' A' ' 29' ' ' LEU . 51.5 m-85 -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.91 78.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.39 -48.06 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.2 tppp? -61.28 -41.31 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.843 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -57.51 -46.9 83.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.533 HD13 HD11 ' A' ' 89' ' ' LEU . 37.9 mm -61.76 -40.03 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.55 -41.49 85.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 38.3 m-85 -70.14 -40.42 74.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.46 90.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.09 -30.55 59.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.98 -33.7 76.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.33 170.34 20.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -81.02 41.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -110.58 -26.28 9.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -93.33 121.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.47 -34.85 67.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.21 -41.93 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.09 86.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 79.9 mmm -70.83 -49.04 50.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.52 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -44.66 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.54 72.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.803 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.9 t70 -72.14 -37.81 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.44 -43.38 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.53 -48.04 13.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 HD21 ' A' ' 59' ' ' LEU . 16.3 mt -98.55 117.92 34.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -80.58 -36.67 32.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 85' ' ' LEU . 12.1 mm-40 -52.64 107.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtt -62.43 -22.85 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 10.5 t0 -86.19 -28.24 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.799 HD12 HG23 ' A' ' 34' ' ' THR . 17.5 mt -74.37 -34.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.8 mt -56.17 -54.34 53.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.737 . . . . 0.0 111.197 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.77 -41.16 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -47.5 86.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 93' ' ' LEU . 13.2 tp -59.43 -34.79 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.7 -19.57 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -111.68 8.98 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 93' ' ' LEU . 25.0 t -127.37 -73.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 92' ' ' VAL . 15.7 mt -73.24 -43.51 61.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.03 -56.34 10.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 111.135 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.7 Cg_endo -69.84 -36.61 10.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.296 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -62.61 -37.02 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 30.5 m-85 -89.39 -35.47 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' TYR . 35.4 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.8 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.963 0.411 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.684 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.1 p -106.05 157.42 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -132.22 141.82 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -110.82 142.12 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.0 tp -135.25 146.89 49.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 4.3 tt0 -95.8 143.06 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.642 HD13 HG23 ' A' ' 122' ' ' VAL . 28.3 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 85.0 mmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.774 0.321 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -141.43 160.91 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.642 HG23 HD13 ' A' ' 110' ' ' ILE . 96.8 t -115.96 135.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.59 131.0 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.05 147.78 27.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.684 ' CE1' HG22 ' A' ' 105' ' ' THR . 46.4 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.582 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -60.04 -41.57 92.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.12 -33.58 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 15.3 mt -63.49 -44.67 93.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.05 -44.53 84.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 85' ' ' LEU . 14.4 m -64.05 -46.83 82.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.42 -36.77 84.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.684 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.6 tp -59.83 -47.17 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 85' ' ' LEU . 72.3 t -66.63 -41.62 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.723 ' HG2' HD11 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -57.21 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.0 m-70 -99.75 10.65 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 38.6 25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.726 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 39.8 ttt85 -177.91 131.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.2 pt -146.94 158.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 32.1 tt0 -107.82 119.91 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.98 161.63 29.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.581 0.705 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.4 Cg_endo -69.82 173.97 10.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -61.91 -40.4 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.71 96.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.2 mpt_? -76.39 -43.16 41.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.6 t -59.05 -52.98 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -62.11 -48.88 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.56 ' OE2' HD23 ' A' ' 29' ' ' LEU . 25.4 tt0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.684 ' HE1' HD22 ' A' ' 36' ' ' LEU . 12.9 ptm -71.23 -33.11 69.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 23.3 ttp180 -55.61 -48.31 75.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.62 99.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.2 m-85 -68.56 -37.42 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -61.84 -49.54 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.36 -40.53 97.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.31 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 89' ' ' LEU . 36.3 mm -58.39 -38.21 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -57.67 -44.09 85.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 45.1 m-85 -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.535 ' HA2' ' CZ ' ' A' ' 90' ' ' PHE . . . -59.99 -35.74 88.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.85 -30.7 58.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.297 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.2 -27.52 68.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.61 177.42 29.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -82.4 38.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.8 p -110.35 -37.2 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -77.67 112.0 14.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.5 pt-20 -53.74 -48.64 69.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.79 -40.65 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -45.65 83.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.443 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 8.8 mmt -69.39 -38.45 77.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 6.7 mmt180 -56.36 -51.39 68.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.401 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 9.8 ttt -66.98 -45.07 78.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.53 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 86' ' ' ILE . 17.1 t0 -70.58 -38.78 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -62.8 -41.85 99.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.582 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 66.0 m95 -80.76 -47.77 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.2 111.55 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -82.77 -17.16 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 85' ' ' LEU . 5.2 mm-40 -75.62 98.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -54.16 -14.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 29.8 t70 -90.35 -33.49 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 38' ' ' ARG . 33.7 mt -75.24 -30.25 60.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.1 mt -60.08 -53.87 60.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.75 -41.27 4.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.5 tttt -65.16 -46.51 80.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.811 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -55.98 -35.16 66.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.7 m-85 -78.76 -22.4 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -111.89 12.42 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 88' ' ' LYS . 29.0 t -128.13 -71.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 HD13 ' A' ' 89' ' ' LEU . 36.0 mt -76.41 -42.69 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.85 -56.2 10.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.542 0.687 . . . . 0.0 111.186 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.81 -22.89 31.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -74.93 -43.27 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 98' ' ' LYS . 31.9 m-85 -87.01 -42.36 13.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 17.9 tptp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.2 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.954 0.407 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.6 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.7 p -107.88 161.8 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -134.01 140.13 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.97 131.17 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.7 tp -122.55 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.17 129.73 39.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 85.1 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.7 0.286 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.6 156.8 42.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 93.0 t -118.2 130.11 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.7 tt -115.63 137.13 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -149.49 145.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CE1' HG22 ' A' ' 105' ' ' THR . 25.5 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD11 ' OE1' ' A' ' 51' ' ' GLU . 12.2 mt -59.17 -46.78 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 20.4 mtp180 -59.77 -43.75 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.37 -32.31 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.47 -45.01 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 91.3 mt -65.35 -44.85 86.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.579 HG23 HD12 ' A' ' 85' ' ' LEU . 19.3 m -62.9 -47.85 81.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.13 91.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.4 tp -59.33 -47.76 84.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 33' ' ' LEU . 54.1 t -65.76 -40.22 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -57.92 -52.72 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -102.22 13.6 34.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.3 mt-10 39.45 25.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' HIS . 16.1 ttt180 -179.44 131.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 52' ' ' MET . 6.4 pt -146.55 159.69 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -106.45 122.26 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.9 161.83 28.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.955 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.4 Cg_endo -69.77 173.37 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -62.3 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.4 mpt_? -76.43 -39.05 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.6 t -62.53 -52.64 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.38 -48.93 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.534 ' OE1' HD11 ' A' ' 29' ' ' LEU . 20.0 tt0 -60.74 -46.07 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.594 ' HE1' HD11 ' A' ' 42' ' ' ILE . 16.3 ptm -71.25 -32.88 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 31.9 ttp180 -57.21 -47.34 81.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.46 99.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.781 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 55.0 m-85 -70.45 -36.18 73.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.0 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.62 -48.97 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 10.7 tppt? -60.93 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD21 HD11 ' A' ' 80' ' ' LEU . 17.6 tp -60.63 -50.28 74.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.592 HD13 HD11 ' A' ' 89' ' ' LEU . 37.1 mm -57.93 -42.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.78 -43.97 85.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 26.6 m-85 -60.93 -45.58 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.75 -37.13 91.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -54.9 -30.05 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.26 -39.13 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.72 162.89 9.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.525 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 p30 -84.35 -26.07 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -68.16 -27.08 66.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.73 119.55 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 54.0 mt-10 -64.65 -40.43 95.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -57.73 -45.42 85.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.73 85.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt -60.64 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 31.9 mtp180 -62.25 -44.19 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 6.6 tpt -64.2 -45.16 89.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.5 82.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.667 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.9 t70 -72.08 -38.35 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 28.6 t80 -65.76 -42.5 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.781 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.8 m95 -81.11 -48.13 12.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 89' ' ' LEU . 33.9 mt -97.25 130.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -88.79 -42.63 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -52.97 112.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.468 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.5 mmtt -63.48 -22.0 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 19.6 m-20 -85.42 -30.84 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 34' ' ' THR . 24.1 mt -74.4 -30.95 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.5 mt -57.22 -54.59 53.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.71 -41.27 4.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.749 ' CG ' HG21 ' A' ' 92' ' ' VAL . 39.7 tttt -61.09 -44.66 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.665 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.3 tp -54.88 -34.27 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.2 m-85 -80.66 -23.58 39.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.38 17.42 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 88' ' ' LYS . 20.4 t -130.34 -68.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 89' ' ' LEU . 47.8 mt -82.57 -40.7 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.84 -56.86 7.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.72 -36.16 11.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -65.29 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 50.2 m-85 -95.83 -31.38 13.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 tttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.7 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -114.78 163.34 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -139.67 141.97 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.642 ' HG3' HG11 ' A' ' 49' ' ' VAL . 3.2 ttt -111.43 132.1 54.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 ' H ' ' A' ' 109' ' ' GLN . 22.7 tp -117.32 152.49 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -104.5 132.52 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 122' ' ' VAL . 16.0 pt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.754 0.312 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.651 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -148.54 160.41 43.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 110' ' ' ILE . 73.8 t -119.51 123.87 71.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.494 HG21 ' SD ' ' A' ' 52' ' ' MET . 14.6 tt -114.27 134.63 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -149.86 148.23 28.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 55' ' ' TYR . 79.0 mt -61.11 -43.08 99.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.687 HH21 HG22 ' A' ' 81' ' ' THR . 23.4 mtp180 -59.9 -42.49 93.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -68.21 -34.48 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HE ' ' A' ' 48' ' ' ARG . 24.4 mt -62.78 -45.9 90.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 46.9 mt -65.22 -44.5 88.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 85' ' ' LEU . 8.1 m -65.9 -44.18 86.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.68 80.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.7 tp -61.09 -48.62 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.04 -40.72 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -57.67 -52.04 67.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.0 m-70 -101.8 13.09 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 mt-10 39.85 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 40.8 ttt180 -177.66 131.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 pt -143.32 159.04 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -110.72 118.81 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 161.29 30.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.0 Cg_endo -69.75 172.89 11.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -61.82 -39.52 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.98 99.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HE ' HD11 ' A' ' 32' ' ' LEU . 22.2 mmm-85 -76.29 -37.73 57.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 45' ' ' PRO . 47.4 t -65.55 -46.92 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -64.27 -48.71 74.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.01 -46.22 82.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.797 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.64 -32.71 70.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 38.1 ttt180 -61.24 -44.43 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.7 -43.38 99.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.797 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 58.4 m-85 -69.47 -36.86 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.65 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.01 -48.98 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -60.48 -40.56 91.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 13.6 tp -59.0 -43.45 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 89' ' ' LEU . 36.2 mm -63.12 -42.09 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.19 -44.81 83.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.15 -41.89 96.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -35.93 88.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -55.93 -30.74 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.75 -32.09 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.26 166.93 21.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.42 42.52 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -112.67 -21.57 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -97.88 123.73 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.73 -36.82 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -61.5 -40.66 95.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.43 88.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.2 mmm -68.54 -49.24 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -63.24 -39.67 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.21 -42.76 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.9 70.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 86' ' ' ILE . 33.8 t0 -71.95 -35.32 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.495 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 41.3 t80 -68.84 -44.03 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.797 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.6 m95 -81.18 -48.31 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 52.3 mt -97.23 104.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.687 HG22 HH21 ' A' ' 30' ' ' ARG . 32.6 p -69.25 -35.2 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.1 mm-40 -57.02 110.41 0.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 30.6 mmtt -62.91 -24.99 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.433 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 17.9 t0 -82.78 -31.1 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 34' ' ' THR . 19.2 mt -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.8 mt -55.24 -55.4 39.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.8 Cg_endo -69.82 -41.17 4.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 92' ' ' VAL . 11.0 ttpt -60.92 -47.87 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.963 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -56.85 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -81.27 -18.94 44.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -110.6 10.04 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG21 ' HG2' ' A' ' 88' ' ' LYS . 66.2 t -132.63 -74.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.963 HD12 HD13 ' A' ' 89' ' ' LEU . 30.0 mt -68.5 -40.64 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -52.0 -56.83 18.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.81 -39.89 5.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.366 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.21 -47.94 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . 56.7 m-85 -97.36 37.09 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 97' ' ' TYR . 5.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.978 0.418 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 70.9 p -106.31 160.45 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -132.56 140.72 48.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.4 ttt -105.77 136.82 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.1 tp -128.97 147.54 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -102.98 121.41 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.127 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.8 mmm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.97 160.3 44.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.405 HG11 ' HE ' ' A' ' 41' ' ' ARG . 83.6 t -124.85 131.95 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.797 HD13 ' SD ' ' A' ' 52' ' ' MET . 18.8 tt -119.81 133.13 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 154.92 38.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.912 0.387 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.01 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.4 OUTLIER -59.0 -46.65 87.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.96 -42.92 97.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -69.46 -31.02 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 42' ' ' ILE . 31.4 mt -70.12 -41.89 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD12 ' CE3' ' A' ' 79' ' ' TRP . 82.8 mt -65.59 -44.75 85.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.735 HG23 HD12 ' A' ' 85' ' ' LEU . 8.9 m -65.82 -48.12 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.57 -36.19 76.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.8 tp -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.7 t -66.89 -40.58 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.26 -52.38 65.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.0 m-70 -100.23 9.53 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LEU . 30.6 mt-10 39.53 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 27.7 ttp180 -178.0 130.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 5.1 pt -147.91 160.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.05 119.16 38.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.54 30.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.777 ' O ' HG23 ' A' ' 49' ' ' VAL . 52.7 Cg_endo -69.86 170.75 15.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.611 2.207 . . . . 0.0 112.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.455 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 8.0 t-105 -61.09 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.68 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.1 mmt85 -76.62 -34.87 58.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 45' ' ' PRO . 54.1 t -66.1 -51.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.37 -48.6 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.09 -45.51 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.738 ' HE1' HD22 ' A' ' 36' ' ' LEU . 21.2 ptm -70.67 -33.04 70.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 107' ' ' MET . 14.5 ttm180 -58.5 -46.6 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.72 -43.21 99.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 56.2 m-85 -69.99 -40.1 75.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.81 84.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -48.86 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -62.22 -40.12 95.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -58.09 -48.64 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.672 HD13 HD11 ' A' ' 89' ' ' LEU . 45.8 mm -60.19 -41.97 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -56.36 -42.79 78.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 28.3 m-85 -70.53 -38.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.09 82.91 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 60' ' ' ILE . 62.2 mttt -53.65 -31.22 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.21 -32.89 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.51 176.91 21.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.44 39.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -115.0 -27.13 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.4 133.52 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.83 -48.0 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -57.88 -39.38 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.43 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.5 mmt -70.18 -49.3 51.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -59.13 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mtp -58.91 -43.53 91.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.0 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 86' ' ' ILE . 34.9 t0 -72.0 -41.78 67.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.4 -43.44 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 1.01 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 22.4 m95 -76.35 -47.59 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.624 HD11 HD22 ' A' ' 89' ' ' LEU . 33.4 mt -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.006 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -77.68 -33.01 53.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 85' ' ' LEU . 9.7 mm-40 -57.39 112.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 9.5 mmpt? -63.13 -20.42 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.2 m-20 -88.3 -28.1 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.735 HD12 HG23 ' A' ' 34' ' ' THR . 19.4 mt -75.22 -33.2 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.602 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -58.18 -53.68 63.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.19 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.84 -41.05 4.51 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.625 2.216 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.505 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.88 -34.77 65.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.3 m-85 -80.83 -19.78 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -111.66 11.95 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 93' ' ' LEU . 14.3 t -131.33 -74.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 89' ' ' LEU . 27.6 mt -72.56 -41.9 65.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.696 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.96 -56.32 14.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.696 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.77 -34.15 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.382 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -64.74 -39.6 93.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.57 39.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 125' ' ' TYR . 80.4 p -106.01 165.64 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -127.19 140.77 52.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.455 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 6.4 ttt -105.63 125.7 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 tp -114.99 143.25 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.67 140.17 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 122' ' ' VAL . 48.0 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.42 156.32 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 110' ' ' ILE . 79.5 t -117.63 134.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 36' ' ' LEU . 16.9 tt -117.66 137.03 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -145.27 154.37 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 105' ' ' THR . 8.8 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 55' ' ' TYR . 2.4 tt -59.21 -48.06 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -60.57 -39.78 89.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.31 -34.63 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 42' ' ' ILE . 21.0 mt -65.44 -45.97 81.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.77 -44.98 94.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 HD12 ' A' ' 85' ' ' LEU . 16.8 m -67.65 -44.99 76.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.21 -36.56 79.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -61.28 -48.42 81.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.9 -40.78 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.97 -52.31 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' ARG . 15.9 m-70 -102.63 11.52 37.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.0 mp0 39.99 25.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.0 ttt180 -176.9 131.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.552 HD12 HD22 ' A' ' 32' ' ' LEU . 16.7 pt -146.64 159.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 35.4 tt0 -106.55 120.61 42.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.09 160.91 31.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.77 170.26 16.99 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.609 2.206 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -62.22 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.39 93.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 15.5 mmm-85 -76.52 -38.45 55.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 107' ' ' MET . 29.4 t -63.06 -49.55 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.93 -49.15 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.88 -46.92 87.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.455 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.0 ppp? -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -58.04 -42.46 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -44.0 98.55 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.5 m-85 -67.17 -43.89 81.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.26 91.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.99 -49.25 78.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -59.56 -42.15 91.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -56.04 -49.19 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.415 HG22 ' HE3' ' A' ' 64' ' ' LYS . 45.2 mm -59.15 -39.81 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.69 -45.18 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.24 -39.23 89.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 -34.96 86.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HE3' HG22 ' A' ' 60' ' ' ILE . 47.7 mttt -53.63 -30.08 41.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.67 168.43 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -79.55 43.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.3 p -116.29 -36.82 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -77.29 125.17 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.1 -43.85 82.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -57.16 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.17 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.415 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 3.6 mmt -68.22 -49.43 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -63.96 -44.94 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 tpt -58.7 -44.66 90.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.39 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.4 t70 -72.42 -34.73 68.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.15 -44.09 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 88.8 m95 -80.99 -47.17 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 89' ' ' LEU . 22.4 mt -97.64 109.41 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.7 p -72.4 -38.25 68.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 85' ' ' LEU . 6.1 mm-40 -55.78 107.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 32.4 mmtp -61.15 -22.84 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.7 t0 -83.7 -30.65 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.684 HD12 HG23 ' A' ' 34' ' ' THR . 21.3 mt -73.38 -31.63 64.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.3 mt -55.62 -55.12 43.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.185 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.83 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.6 tp -59.04 -34.99 72.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.7 m-85 -81.29 -19.42 42.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.49 11.98 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.485 HG21 ' HG2' ' A' ' 88' ' ' LYS . 39.2 t -130.79 -73.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.83 HD12 ' CD1' ' A' ' 89' ' ' LEU . 41.4 mt -72.94 -44.91 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.93 -56.64 8.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.77 -25.88 28.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.618 2.212 . . . . 0.0 112.358 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -69.88 -42.18 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.12 39.07 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.954 0.407 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.617 HG22 ' CE1' ' A' ' 125' ' ' TYR . 47.8 p -105.92 145.03 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -116.02 139.22 50.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.58 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.6 ttm -104.56 125.95 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 tp -112.48 144.6 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -104.34 136.05 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.65 0.738 . . . . 0.0 111.18 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.45 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 88.4 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -150.33 160.63 43.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.88 132.27 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.455 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.5 tt -112.97 137.4 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -151.11 142.63 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.617 ' CE1' HG22 ' A' ' 105' ' ' THR . 27.0 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.33 -47.43 86.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -59.69 -43.12 94.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.44 -32.03 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 42' ' ' ILE . 27.6 mt -63.61 -46.21 86.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD12 ' CE3' ' A' ' 79' ' ' TRP . 31.1 mt -65.34 -44.59 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.681 HG23 HD12 ' A' ' 85' ' ' LEU . 29.2 m -65.23 -44.65 87.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.07 -36.83 81.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 ' HA ' HG23 ' A' ' 42' ' ' ILE . 9.9 tp -60.28 -48.29 82.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.41 -40.61 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -57.95 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 5.6 m80 -101.57 13.29 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.6 mt-10 39.75 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -176.71 131.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.698 HG23 ' HA ' ' A' ' 36' ' ' LEU . 31.2 pt -145.74 159.36 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 48.4 tt0 -113.76 123.48 49.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.777 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.08 160.91 31.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.771 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.2 Cg_endo -69.78 174.24 9.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -62.33 -40.14 95.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HE ' ' CG ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -76.71 -36.32 57.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 45' ' ' PRO . 55.1 t -63.16 -50.19 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.55 -46.5 88.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.687 ' HE3' HD11 ' A' ' 42' ' ' ILE . 2.6 ppp? -70.93 -33.53 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -57.45 -48.96 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.666 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 43.4 m-85 -67.97 -39.21 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.27 99.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.72 -49.2 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 5.8 tppt? -60.47 -38.33 83.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.592 HD21 HD11 ' A' ' 80' ' ' LEU . 21.3 tp -58.54 -49.16 78.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 104' ' ' TYR . 39.8 mm -61.1 -38.56 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.05 -42.47 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 45.2 m-85 -71.1 -41.2 70.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.54 -40.56 96.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.418 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 7.8 mtpm? -54.67 -29.61 53.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.99 -34.01 77.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.62 170.83 22.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 49.6 t0 -78.69 43.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.0 t -111.98 -35.61 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.14 121.72 29.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.4 -37.89 70.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.5 mtm-85 -58.2 -40.92 82.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.21 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 75.7 mmm -64.49 -49.64 70.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 15.8 ptt180 -62.8 -43.13 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.43 ' CE ' ' NE1' ' A' ' 79' ' ' TRP . 7.4 tpt -62.64 -42.92 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.04 -37.91 78.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.685 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t70 -72.32 -37.61 68.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -67.87 -42.58 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.666 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.92 -48.19 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.592 HD11 HD21 ' A' ' 59' ' ' LEU . 31.4 mt -101.57 104.56 15.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 p -68.88 -38.0 79.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.0 mm-40 -52.83 110.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 20.1 mmtp -64.03 -17.69 63.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.5 t70 -88.5 -31.56 18.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD12 HG23 ' A' ' 34' ' ' THR . 24.5 mt -75.22 -32.2 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 77' ' ' ASP . 52.3 mt -57.41 -53.53 64.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.79 -41.41 4.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.609 ' CG ' HG21 ' A' ' 92' ' ' VAL . 37.2 tttt -63.66 -44.36 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.816 ' CD1' HD12 ' A' ' 93' ' ' LEU . 10.3 tp -55.65 -35.14 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.5 m-85 -81.14 -21.74 39.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -112.01 15.47 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.609 HG21 ' CG ' ' A' ' 88' ' ' LYS . 41.5 t -134.2 -69.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 89' ' ' LEU . 39.9 mt -76.83 -45.7 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.659 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.53 -55.59 9.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.722 . . . . 0.0 111.077 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.7 -23.27 31.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 0.0 112.375 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -73.67 -48.05 35.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 36.0 m-85 -103.64 40.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.452 ' CD1' HG21 ' A' ' 60' ' ' ILE . 5.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.2 p -106.28 158.76 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -119.19 134.01 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.448 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.6 ttt -105.91 122.23 45.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 55.7 tp -114.51 148.5 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.62 128.54 49.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 HG23 ' A' ' 122' ' ' VAL . 21.5 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 79.8 mmm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -147.63 156.43 42.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 110' ' ' ILE . 77.8 t -116.05 130.49 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.535 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.7 tt -117.71 141.09 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -150.89 143.83 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.854 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.1 tp -65.41 -47.01 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -62.26 -37.14 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -66.94 -36.77 82.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 48' ' ' ARG . 17.7 mt -65.2 -44.51 88.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.46 -44.51 96.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 85' ' ' LEU . 22.0 m -65.65 -46.89 77.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.21 81.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 52' ' ' MET . 11.0 tp -59.8 -48.11 83.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' A' ' 125' ' ' TYR . 99.0 t -66.36 -40.48 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -59.07 -52.33 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' ARG . 7.1 m80 -98.59 8.91 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' LEU . 91.5 mt-10 39.61 24.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 ttp85 -178.1 131.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.3 pt -146.1 159.37 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -105.0 118.77 37.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.32 161.02 30.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.808 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.74 170.62 16.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.9 t-105 -62.27 -42.7 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.31 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.1 tpp85 -76.68 -37.55 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.6 t -61.67 -51.28 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.85 -48.84 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.22 -46.6 89.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.542 ' HE1' HD22 ' A' ' 36' ' ' LEU . 2.5 ppp? -71.43 -32.82 68.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' MET . 19.1 ttp180 -57.99 -44.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -43.33 99.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.565 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.854 ' CD2' HD21 ' A' ' 29' ' ' LEU . 49.9 m-85 -69.73 -42.47 73.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.921 0.391 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.31 96.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.49 -49.16 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -60.2 -48.04 83.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.411 HD13 HD11 ' A' ' 89' ' ' LEU . 31.4 mm -58.5 -42.27 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -58.89 -42.08 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.56 -44.9 92.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.73 87.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -55.33 -30.86 61.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.94 -37.28 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.22 169.53 11.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.7 p30 -84.75 -22.19 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -67.52 -32.32 73.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.82 117.32 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -58.05 -42.65 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -59.73 -44.19 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.7 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.8 -48.9 78.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -66.22 -38.73 88.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -66.55 -45.24 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.732 ' HA ' HD11 ' A' ' 86' ' ' ILE . 24.5 t70 -72.14 -38.51 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.5 -43.34 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.9 m95 -80.25 -47.98 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 13.5 mt -99.32 125.01 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.2 p -85.86 -34.26 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 85' ' ' LEU . 16.9 mm-40 -55.54 110.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 49.3 mmtt -64.76 -20.7 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 33.3 t70 -87.63 -31.78 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 34' ' ' THR . 26.8 mt -73.84 -31.04 63.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.5 mt -57.79 -55.08 48.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.8 -40.7 4.95 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HE2' HG11 ' A' ' 92' ' ' VAL . 3.9 tmtt? -62.78 -45.93 90.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 93' ' ' LEU . 13.7 tp -57.22 -35.13 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -81.3 -19.86 42.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -110.28 11.0 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.527 HG11 ' HE2' ' A' ' 88' ' ' LYS . 20.8 t -131.99 -72.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 89' ' ' LEU . 40.7 mt -70.52 -45.01 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.94 -56.86 10.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.078 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.74 -40.17 5.68 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.19 -39.75 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 31.7 m-85 -87.15 -43.19 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' TYR . 19.8 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 3.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.7 p -106.34 154.48 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -127.82 139.65 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.488 ' HE2' HG11 ' A' ' 49' ' ' VAL . 6.9 ttt -107.2 135.44 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.8 tp -125.3 142.73 51.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -98.08 137.38 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 111.115 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.1 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.75 161.13 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.37 132.37 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' SD ' ' A' ' 52' ' ' MET . 17.0 tt -116.5 140.08 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.94 145.4 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.567 ' CE1' HG22 ' A' ' 105' ' ' THR . 12.0 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.3 tt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.05 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -59.91 -42.83 94.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.53 -38.64 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 32' ' ' LEU . 28.9 mt -60.3 -45.43 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.55 -44.65 95.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' CD1' ' A' ' 85' ' ' LEU . 22.9 m -65.55 -45.25 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.22 -36.91 80.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -59.97 -48.18 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.44 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.93 -52.28 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.5 m-70 -102.96 12.43 36.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.5 mt-10 39.62 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' HIS . 54.3 ttt-85 -177.1 131.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.403 HG23 ' HA ' ' A' ' 36' ' ' LEU . 18.6 pt -146.8 159.23 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -106.78 119.74 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.15 161.35 30.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.896 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.7 171.62 14.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 2.0 t-105 -62.54 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.66 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -37.03 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 45' ' ' PRO . 95.7 t -62.27 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.81 -48.92 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.2 -45.54 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.518 ' SD ' HG21 ' A' ' 123' ' ' ILE . 12.5 ptm -70.63 -32.96 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.8 ttt180 -56.0 -47.31 77.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.34 99.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 59.0 m-85 -69.32 -38.15 78.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.75 82.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.91 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 2.9 tppt? -64.13 -38.63 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 80' ' ' LEU . 18.5 tp -59.57 -47.37 85.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 89' ' ' LEU . 40.1 mm -61.73 -42.08 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.24 -41.58 79.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 57.1 m-85 -65.94 -44.19 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.98 -35.77 88.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.408 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -56.33 -30.63 62.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.64 -34.37 78.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.39 169.01 19.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.25 42.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -109.54 -35.35 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -86.85 121.63 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 8.4 pt-20 -57.75 -34.89 70.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 1.3 tmm_? -61.96 -41.66 98.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 84.3 mmm -69.6 -49.63 52.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 34.3 ptt85 -61.44 -41.72 97.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.35 -42.6 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.01 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 86' ' ' ILE . 38.7 t0 -71.37 -34.27 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -68.46 -43.38 77.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.586 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.3 m95 -81.17 -48.14 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 89' ' ' LEU . 67.5 mt -94.4 113.14 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -79.93 -29.37 39.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.793 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.1 mt-10 -64.45 108.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 26.7 mmtp -61.45 -17.68 55.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.4 t70 -88.96 -29.27 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 82' ' ' GLU . 30.8 mt -75.42 -33.18 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 77' ' ' ASP . 55.8 mt -58.05 -53.21 68.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.3 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.401 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 92' ' ' VAL . 9.9 ttpp -63.82 -48.16 77.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.74 -35.39 66.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.6 m-85 -81.19 -20.71 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -112.05 12.57 20.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 93' ' ' LEU . 30.2 t -131.37 -73.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 92' ' ' VAL . 16.3 mt -73.67 -41.53 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.0 -56.5 13.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.76 -23.65 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.79 -41.05 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 55.0 m-85 -88.37 -38.84 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 26.3 tttp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.957 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 12.5 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.36 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -121.87 142.03 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' HG11 ' A' ' 49' ' ' VAL . 2.1 ttt -108.55 127.1 53.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.6 tp -115.27 145.32 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.92 126.42 44.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.3 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.693 0.282 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.0 157.21 43.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.32 123.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.518 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.4 tt -117.34 131.4 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -147.83 155.97 42.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.874 0.369 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.99 -46.25 88.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -63.76 -43.67 95.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.84 -31.64 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.73 -41.01 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.47 -45.21 80.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.687 HG23 HD12 ' A' ' 85' ' ' LEU . 21.4 m -64.92 -46.48 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.93 -36.23 81.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HE1' ' A' ' 52' ' ' MET . 6.6 tp -59.18 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.44 -40.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -61.31 -51.98 66.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.4 m80 -95.62 6.96 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.1 mm-40 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' HIS . 30.4 ttm180 -179.57 131.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 52' ' ' MET . 7.6 pt -146.83 159.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -112.38 121.0 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.93 161.16 30.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.75 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.647 2.231 . . . . 0.0 112.325 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.25 -31.28 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.97 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -77.23 -35.37 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.9 t -66.43 -47.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.79 -48.2 75.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.88 -46.21 79.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.86 -32.83 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 27.6 ttm-85 -60.75 -47.1 87.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.73 -42.87 99.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.13 -39.07 79.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.85 87.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.91 -49.07 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.14 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -45.46 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 89' ' ' LEU . 34.8 mm -62.47 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 6.1 t70 -56.76 -42.63 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 27.7 m-85 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.38 86.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HZ1' ' HA ' ' A' ' 61' ' ' ASP . 24.6 mtmm -54.64 -30.79 56.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.723 0.297 . . . . 0.0 110.809 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.461 HD13 HD22 ' A' ' 69' ' ' ASN . 30.4 mt -65.83 -34.18 77.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.69 176.21 19.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -82.03 39.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -115.77 -27.42 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.461 HD22 HD13 ' A' ' 65' ' ' LEU . 4.0 t-20 -81.34 127.67 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 11.0 pt-20 -63.36 -41.79 98.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 12.1 tpp85 -62.93 -44.95 94.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . . . -66.63 -46.89 74.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.435 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 9.0 mmt -61.41 -47.9 83.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 75' ' ' MET . 9.8 ptp180 -63.64 -37.05 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 14.6 mtp -65.87 -45.19 83.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.04 80.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.773 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.1 t70 -72.44 -37.79 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.21 -40.76 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -80.06 -44.88 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.61 116.55 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p -79.17 -19.87 49.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.5 mt-10 -70.81 96.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 7.9 mmmm -53.0 -24.64 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 18.4 t70 -83.2 -28.97 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.687 HD12 HG23 ' A' ' 34' ' ' THR . 20.3 mt -73.92 -29.73 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 77' ' ' ASP . 37.2 mt -57.67 -55.03 49.06 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.631 0.729 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.82 -41.48 4.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' CD ' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.79 -48.2 81.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.954 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.9 tp -61.01 -34.91 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.6 m-85 -79.85 -19.85 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -111.56 10.05 21.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.423 HG12 HD23 ' A' ' 93' ' ' LEU . 48.2 t -128.89 -73.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.954 HD12 ' CD1' ' A' ' 89' ' ' LEU . 36.6 mt -69.55 -40.35 76.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -51.85 -56.67 19.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.542 0.687 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.78 -24.83 29.15 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 7.1 tpm_? -74.91 -35.14 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.552 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 44.2 m-85 -91.78 -39.54 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.1 ttmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 125' ' ' TYR . 80.8 p -106.05 155.89 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -125.72 139.69 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.4 ttt -106.7 122.0 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.04 141.33 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -100.81 142.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 28.5 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.495 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.03 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.95 132.43 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.733 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -120.5 141.23 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 7.3 mp0 -146.02 154.75 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 105' ' ' THR . 6.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 55' ' ' TYR . 10.0 tp -61.41 -46.76 88.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -60.01 -42.98 95.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.15 -31.94 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.36 -43.73 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.06 -44.44 84.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.659 HG21 ' OE2' ' A' ' 82' ' ' GLU . 11.8 m -65.08 -45.15 86.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.97 -36.8 82.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.602 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HA ' HG23 ' A' ' 42' ' ' ILE . 6.5 tp -60.31 -47.91 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.35 -40.22 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD2' ' NE2' ' A' ' 39' ' ' HIS . 46.9 ttm-85 -55.49 -52.27 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.7 m-70 -104.42 13.6 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 57.4 mt-10 39.78 24.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 1.5 tmm_? -177.29 131.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.79 159.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.59 121.51 43.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 161.34 30.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.572 0.701 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.71 171.4 14.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.4 t-105 -62.27 -42.12 99.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 5.0 mmp_? -76.74 -33.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 45' ' ' PRO . 19.8 t -64.95 -53.11 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.35 -48.73 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.25 -45.6 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.479 ' SD ' HG21 ' A' ' 123' ' ' ILE . 16.3 ptm -70.77 -32.94 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.6 99.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 29' ' ' LEU . 50.6 m-85 -69.97 -38.75 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.988 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.7 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.17 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.9 -49.29 76.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.5 tppp? -59.65 -38.21 80.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 80' ' ' LEU . 62.4 tp -60.38 -47.74 84.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.13 -42.33 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 25.6 m-85 -68.06 -43.7 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.53 88.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -54.44 -29.68 50.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.75 -40.08 94.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.8 175.16 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.49 -17.63 47.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.808 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 p -82.8 23.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.826 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 2.1 t-20 -105.57 121.56 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.43 -48.33 70.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CG ' ' OD1' ' A' ' 69' ' ' ASN . 9.2 ptp180 -63.29 -42.82 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' ASN . . . -66.99 -42.1 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.6 mmt -61.26 -49.1 78.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' MET . 23.9 ptt180 -64.68 -39.74 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 7.0 tpt -67.18 -45.06 78.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.13 78.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HA ' HD11 ' A' ' 86' ' ' ILE . 14.1 t0 -72.27 -41.0 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -63.59 -44.05 95.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.5 m95 -80.63 -48.2 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.785 HD11 HD21 ' A' ' 59' ' ' LEU . 15.5 mt -98.29 114.64 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -79.01 -24.63 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.659 ' OE2' HG21 ' A' ' 34' ' ' THR . 0.2 OUTLIER -66.17 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.5 mmmm -54.76 -16.03 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.04 -34.27 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 82' ' ' GLU . 32.8 mt -74.2 -28.19 61.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.847 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.7 mt -58.66 -54.59 54.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.75 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.6 Cg_endo -69.83 -41.32 4.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -64.14 -48.43 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.995 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.8 tp -56.71 -34.44 67.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -80.97 -19.92 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.76 12.37 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 88' ' ' LYS . 55.1 t -133.18 -72.3 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.995 HD12 ' CD1' ' A' ' 89' ' ' LEU . 22.9 mt -66.37 -44.29 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -50.62 -57.16 14.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.715 . . . . 0.0 111.169 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.4 Cg_endo -69.68 -26.64 27.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -75.08 -33.09 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 44.4 m-85 -91.84 -37.38 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' TYR . 14.4 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.963 0.411 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.0 p -106.09 164.7 11.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -138.58 137.66 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.574 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 2.0 ttt -105.5 133.01 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.4 tp -127.01 142.17 51.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -101.11 135.19 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.7 pt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 111.148 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.9 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -148.78 161.01 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.11 125.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.479 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.6 tt -117.7 132.19 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.61 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.549 ' CE1' HG22 ' A' ' 105' ' ' THR . 38.8 m-85 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 29' ' ' LEU . 4.0 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.9 mt -59.87 -47.84 84.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -65.86 -35.61 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.93 -45.28 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -64.6 -48.61 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.18 87.82 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.2 tp -59.41 -46.79 87.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.06 -40.51 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -55.88 -52.13 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -102.75 11.53 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 21.7 mt-10 40.14 25.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 20.2 ttp85 -177.73 131.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.8 pt -147.28 159.46 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 37.5 tt0 -102.95 120.78 41.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.7 160.78 31.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.949 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.5 Cg_endo -69.77 171.84 13.73 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -62.36 -45.39 93.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.78 85.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.6 mmp_? -76.82 -32.86 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 45' ' ' PRO . 62.2 t -65.93 -52.72 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.44 -48.64 76.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.8 -46.04 88.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.5 ' HE1' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -70.84 -33.26 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -56.33 -48.69 76.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.48 99.25 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.777 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 47.8 m-85 -68.41 -38.28 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.41 82.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.43 -48.95 78.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -61.15 -41.39 96.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 80' ' ' LEU . 22.7 tp -56.42 -48.42 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.606 HD13 HD11 ' A' ' 89' ' ' LEU . 45.7 mm -61.57 -39.72 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -41.36 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -68.37 -41.17 80.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.551 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.6 -36.59 90.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.82 -30.28 56.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.362 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.66 -40.62 92.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.7 165.53 10.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.515 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 8.4 p-10 -81.23 -28.98 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -64.1 -28.91 70.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.47 114.93 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.7 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.65 -44.96 86.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.46 -49.19 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -57.11 -47.82 80.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -61.22 -39.06 88.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.99 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.541 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t0 -72.29 -39.49 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.32 -44.45 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.777 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.4 m95 -81.35 -47.43 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 59' ' ' LEU . 20.3 mt -102.32 129.03 48.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.1 p -87.88 -52.27 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.68 111.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.467 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 p-10 -88.42 -32.66 18.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 mt -74.38 -30.12 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.589 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 23.9 mt -58.82 -55.01 50.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.5 Cg_endo -69.85 -41.06 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.275 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.891 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.8 tp -57.55 -34.97 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.551 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 8.8 m-85 -81.32 -19.12 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.65 11.42 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 93' ' ' LEU . 23.8 t -131.1 -73.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.891 HD12 ' CD1' ' A' ' 89' ' ' LEU . 54.2 mt -72.6 -43.89 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.89 -56.42 11.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.135 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.3 Cg_endo -69.81 -35.08 13.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.293 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -62.46 -43.71 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 59.4 m-85 -86.21 -37.53 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 6.3 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -111.59 151.03 29.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.9 tpp85 -121.68 136.38 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.547 ' HE3' HG11 ' A' ' 49' ' ' VAL . 5.7 ttt -106.45 120.33 41.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.0 tp -115.84 146.49 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -104.59 138.35 41.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 122' ' ' VAL . 29.8 pt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 84.3 mmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -143.1 160.98 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 110' ' ' ILE . 88.8 t -114.87 129.31 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.468 HG21 ' SD ' ' A' ' 52' ' ' MET . 20.0 tt -116.69 131.67 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -148.73 147.9 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.845 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HG2' ' A' ' 51' ' ' GLU . 4.3 mm? -63.44 -48.54 77.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.12 -33.9 76.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.24 -45.71 59.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.76 -44.52 90.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.969 HG23 HD12 ' A' ' 85' ' ' LEU . 91.4 m -64.37 -45.28 88.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.81 83.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.439 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 52' ' ' MET . 10.6 tp -59.86 -48.25 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.64 -40.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.43 -52.33 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -104.77 14.06 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 63.4 mt-10 39.49 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 38.0 ttm180 -177.76 131.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.0 pt -146.79 159.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.83 119.62 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.37 31.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.1 Cg_endo -69.75 167.19 25.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -57.12 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.9 97.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -76.5 -36.52 57.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 107' ' ' MET . 27.0 t -63.07 -50.71 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.33 -47.27 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 29' ' ' LEU . 3.3 tp10 -62.05 -46.09 90.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.726 ' SD ' HD13 ' A' ' 123' ' ' ILE . 1.8 ppp? -70.97 -33.02 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 52' ' ' MET . 27.1 mtm180 -57.56 -50.12 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -43.73 98.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE1' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 m-85 -67.22 -38.84 85.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.82 98.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.05 -49.07 77.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.46 -44.41 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.811 HD21 HD11 ' A' ' 80' ' ' LEU . 30.6 tp -54.63 -46.55 73.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.58 HD13 HD11 ' A' ' 89' ' ' LEU . 36.5 mm -62.51 -38.66 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.85 -44.62 82.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 53.5 m-85 -69.14 -39.32 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.02 -35.67 87.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 38.9 mttp -54.51 -30.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.63 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.07 175.9 25.51 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.78 39.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -109.24 -38.36 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.1 114.78 19.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.2 pt-20 -53.87 -48.36 70.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -56.99 -42.71 80.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.11 83.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.677 ' HE2' ' CZ ' ' A' ' 90' ' ' PHE . 16.0 mmt -66.92 -40.02 87.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 22.9 mmm-85 -55.79 -51.21 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -60.78 -45.59 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.34 96.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.753 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.8 t0 -72.27 -36.43 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.91 -45.05 87.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.584 ' CZ2' ' CE1' ' A' ' 55' ' ' TYR . 97.2 m95 -81.96 -47.46 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HD21 ' A' ' 59' ' ' LEU . 47.3 mt -96.45 98.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -64.58 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -53.3 106.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.2 mmtp -59.36 -26.29 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -82.21 -27.44 32.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 34' ' ' THR . 17.2 mt -74.26 -33.24 63.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 77' ' ' ASP . 31.5 mt -54.85 -54.64 47.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.57 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -60.27 -48.22 82.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.889 ' CD1' HD12 ' A' ' 93' ' ' LEU . 7.8 tp -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CZ ' ' HE2' ' A' ' 73' ' ' MET . 8.5 m-85 -80.95 -19.18 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -111.11 9.91 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 ' HE3' ' A' ' 88' ' ' LYS . 39.1 t -129.19 -74.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.889 HD12 ' CD1' ' A' ' 89' ' ' LEU . 43.7 mt -69.9 -40.89 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.705 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -49.93 -57.06 13.64 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.78 -29.74 23.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -66.84 -42.15 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.427 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 88.1 m-85 -106.58 38.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.9 p -105.98 159.31 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.03 138.59 52.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.466 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 2.2 ttt -108.05 128.26 54.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.5 tp -125.3 144.66 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -102.94 128.42 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.742 0.306 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.71 160.27 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.59 133.41 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.726 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.6 tt -118.66 138.2 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.62 149.04 29.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.849 0.357 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 1.4 tt -67.06 -47.09 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -59.85 -39.49 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.2 mt -63.95 -42.45 97.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.16 -45.16 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 m -66.43 -46.63 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.06 -36.46 90.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLU . 17.4 tp -60.23 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.64 -40.44 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -56.96 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.7 m-70 -101.54 10.76 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.2 mt-10 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 3.4 tmm_? -178.08 131.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.453 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.1 pt -146.98 159.46 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' HE2' ' A' ' 120' ' ' MET . 28.2 tt0 -103.84 121.05 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.17 158.18 34.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 166.2 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.411 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.631 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 5.8 t-105 -55.83 -41.97 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.23 91.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -76.48 -38.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.667 HG11 ' HE2' ' A' ' 107' ' ' MET . 39.1 t -60.66 -53.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.92 -48.05 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.26 -46.83 87.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.57 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.5 ppp? -70.84 -32.57 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' MET . 45.0 ttt180 -56.54 -43.97 80.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.12 98.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.557 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.0 m-85 -71.12 -41.82 70.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.936 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.2 99.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.19 -49.34 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 11.1 tptm -60.85 -42.74 98.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 80' ' ' LEU . 31.0 tp -55.23 -49.3 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.442 HD13 HD11 ' A' ' 89' ' ' LEU . 30.6 mm -60.74 -38.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.24 -44.19 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 51.2 m-85 -71.19 -39.92 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.69 -37.99 93.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -54.83 -30.41 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.7 -34.02 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.08 171.03 20.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -80.34 42.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -107.93 -39.98 5.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -82.01 130.56 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -62.45 -37.37 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 22.0 ttm180 -58.63 -43.94 89.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.22 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.1 mmt -62.88 -49.85 73.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 75' ' ' MET . 7.2 ptm180 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 31.8 mmm -63.85 -45.15 90.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.92 76.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.8 t70 -71.72 -34.58 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -76.65 -42.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 72.6 m95 -80.72 -48.65 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 59' ' ' LEU . 25.5 mt -101.04 114.57 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -75.56 -30.34 59.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -59.56 97.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 86' ' ' ILE . 16.7 mmtm -56.38 -20.62 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.46 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 7.6 t70 -86.06 -35.94 19.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' HG3' ' A' ' 82' ' ' GLU . 28.0 mt -73.28 -25.47 60.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 50.8 mt -60.2 -55.25 47.22 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.4 Cg_endo -69.78 -41.5 4.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 14.3 ttpt -60.62 -47.14 87.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 93' ' ' LEU . 14.2 tp -57.58 -35.35 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.48 -19.82 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -111.66 9.96 21.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 93' ' ' LEU . 15.9 t -128.66 -73.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 89' ' ' LEU . 40.2 mt -72.37 -42.63 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.9 -56.84 11.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.5 Cg_endo -69.67 -41.05 4.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -56.58 -44.65 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 36.1 m-85 -85.47 -37.87 19.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.886 0.375 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.7 p -105.84 156.28 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -130.3 137.72 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.667 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.4 ttt -109.63 136.77 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 tp -130.35 142.85 50.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -91.74 138.97 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 122' ' ' VAL . 29.1 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.536 ' HE2' ' HG2' ' A' ' 43' ' ' GLU . 22.2 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.15 161.11 43.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 110' ' ' ILE . 71.9 t -122.23 137.31 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.57 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.8 tt -126.86 132.67 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.76 146.02 26.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD21 ' CD2' ' A' ' 55' ' ' TYR . 15.0 tp -65.33 -48.04 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.94 -35.73 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 35.5 mt -69.49 -44.57 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.1 -44.66 87.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -64.33 -42.25 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.86 81.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.745 ' HA ' HG23 ' A' ' 42' ' ' ILE . 8.0 tp -61.31 -46.06 91.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.05 -40.77 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -59.37 -52.28 66.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 6.2 m80 -99.9 12.71 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' LEU . 45.3 mt-10 39.68 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 1.048 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 64.0 ttt-85 -176.92 131.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 36' ' ' LEU . 28.8 pt -144.97 159.06 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -100.97 118.79 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.47 154.26 33.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.686 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.8 Cg_endo -69.68 174.3 9.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -62.76 -46.07 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.62 81.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -76.83 -34.6 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 45' ' ' PRO . 49.2 t -62.62 -53.27 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.84 -48.56 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.61 -46.35 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.409 ' HE1' HD11 ' A' ' 42' ' ' ILE . 12.4 ptm -70.46 -34.41 72.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -56.18 -43.26 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.46 -43.36 99.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.763 ' CD2' HD21 ' A' ' 29' ' ' LEU . 54.9 m-85 -71.64 -42.38 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.99 92.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.63 -49.06 72.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -62.07 -39.4 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD11 ' A' ' 80' ' ' LEU . 26.5 tp -58.12 -49.19 77.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 89' ' ' LEU . 30.5 mm -61.12 -39.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -56.66 -45.03 81.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 35.0 m-85 -66.89 -38.43 86.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.84 -35.26 86.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -53.98 -30.64 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -65.74 -32.05 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.49 178.25 21.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.5 38.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -111.71 -36.26 5.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -74.14 118.39 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.7 mt-10 -56.24 -47.6 78.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -57.18 -43.95 83.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.18 86.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.1 -49.59 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 74' ' ' ARG . 8.7 mtp-105 -60.76 -47.12 87.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.52 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -58.38 -45.48 88.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.84 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.657 ' HA ' HD11 ' A' ' 86' ' ' ILE . 21.8 t0 -72.49 -33.87 67.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.96 -43.82 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 89.9 m95 -80.71 -48.13 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HD21 ' A' ' 59' ' ' LEU . 32.7 mt -102.14 103.91 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 72.9 p -71.07 -36.01 72.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 111.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 2.0 mmmm -67.51 -14.95 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 5.3 m-20 -88.7 -34.68 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.6 mt -57.9 -54.29 56.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.719 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.5 Cg_endo -69.65 -41.39 4.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.418 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CG ' HG21 ' A' ' 92' ' ' VAL . 13.0 tttp -62.7 -46.58 87.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.77 HD13 HD12 ' A' ' 93' ' ' LEU . 13.4 tp -55.21 -34.29 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.7 m-85 -81.3 -20.19 41.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.62 12.44 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 HD23 ' A' ' 93' ' ' LEU . 69.8 t -132.54 -73.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.77 HD12 HD13 ' A' ' 89' ' ' LEU . 23.6 mt -73.08 -42.24 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.14 -55.78 16.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.501 0.667 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.69 -26.77 27.55 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.653 2.236 . . . . 0.0 112.406 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.29 -46.86 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -102.08 38.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 121.026 0.441 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.2 p -108.55 156.69 19.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -119.75 139.5 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.771 ' HE3' HG11 ' A' ' 49' ' ' VAL . 4.6 ttt -107.01 126.1 51.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.07 143.24 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.19 142.63 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.491 HD13 HG23 ' A' ' 122' ' ' VAL . 42.8 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.582 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.31 157.54 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 1.048 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 88.1 t -116.81 130.68 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 36' ' ' LEU . 15.2 tt -117.5 135.24 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -150.75 150.19 30.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 -179.809 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -46.96 88.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -59.71 -40.27 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -67.54 -36.89 81.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.54 -41.49 98.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.16 -44.76 83.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.788 HG23 HD12 ' A' ' 85' ' ' LEU . 20.4 m -65.71 -42.65 90.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.79 81.39 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -62.46 -46.44 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.84 -40.64 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.0 -52.29 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.6 m-70 -104.03 14.61 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.7 pt-20 39.71 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.4 ttt-85 -176.93 131.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.39 159.32 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.9 122.71 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.8 161.76 29.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.985 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.6 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -60.93 -45.93 92.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.44 79.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 17.0 mmp_? -76.48 -36.45 57.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.8 t -62.29 -53.55 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.42 -49.21 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -46.22 86.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 ptm -71.53 -33.14 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -54.85 -46.6 74.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.9 98.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 38.8 m-85 -68.26 -41.18 81.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.04 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.01 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -61.32 -42.04 98.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 HD11 ' A' ' 80' ' ' LEU . 36.8 tp -57.31 -46.32 83.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.51 -40.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -57.57 -43.73 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 41.2 m-85 -71.32 -38.94 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.14 -41.32 96.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 6.5 mtpm? -54.86 -30.12 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.63 169.02 20.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.47 40.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.4 p -112.35 -37.01 5.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -76.29 121.83 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.9 pt-20 -54.26 -46.93 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -57.02 -42.91 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.28 -44.17 88.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.84 -38.74 86.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 1.5 mmp_? -58.4 -49.88 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmm -61.62 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.25 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.7 t70 -72.1 -37.86 69.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -73.54 -43.94 58.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 14.6 m95 -78.46 -46.54 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HD22 ' A' ' 89' ' ' LEU . 25.4 mt -107.72 119.75 40.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -80.83 -37.21 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -54.07 110.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.7 mmtt -62.35 -26.57 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 75.1 m-20 -81.87 -29.73 32.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.788 HD12 HG23 ' A' ' 34' ' ' THR . 18.7 mt -73.31 -33.22 65.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.2 mt -54.14 -55.43 36.74 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.73 -41.01 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.282 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -60.89 -45.31 95.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -61.29 -34.5 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.9 m-85 -79.99 -18.99 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -111.17 8.66 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 88' ' ' LYS . 36.2 t -128.72 -71.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.827 HD12 ' CD1' ' A' ' 89' ' ' LEU . 46.0 mt -72.82 -45.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.17 -56.24 9.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.73 -22.93 31.5 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.746 2.298 . . . . 0.0 112.321 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -73.93 -47.9 34.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 87.3 m-85 -91.34 30.81 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 11.0 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.012 0.434 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.0 p -107.97 162.76 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -121.82 142.0 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 ttt -103.96 120.07 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 tp -112.19 142.4 44.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -102.13 125.81 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 111.179 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.49 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.589 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.01 161.11 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.45 135.98 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.58 HG23 HD13 ' A' ' 36' ' ' LEU . 15.3 tt -114.73 130.02 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -127.53 145.31 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 105' ' ' THR . 3.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 55' ' ' TYR . 12.6 mt -59.27 -37.49 77.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -62.58 -40.66 97.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -68.58 -33.81 74.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.3 -45.94 85.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.47 -44.38 91.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.761 HG23 HD12 ' A' ' 85' ' ' LEU . 11.1 m -65.49 -46.51 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.63 80.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD22 ' CE ' ' A' ' 52' ' ' MET . 7.7 tp -59.76 -47.69 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.36 -40.79 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -56.71 -52.16 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -101.68 11.63 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mt-10 40.0 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HE ' HG11 ' A' ' 122' ' ' VAL . 48.2 ttt180 -176.61 131.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.4 pt -147.23 159.26 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.78 121.88 45.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.67 161.1 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.65 161.87 44.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 3.1 t-105 -52.22 -47.09 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -40.68 76.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 81.1 mmt-85 -75.99 -32.85 59.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 121' ' ' ALA . 51.9 t -67.3 -49.25 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.97 -47.49 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -62.26 -46.89 86.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.765 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.8 ppp? -71.23 -32.85 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -57.8 -47.23 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.94 -43.26 99.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.1 m-85 -68.5 -41.6 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.3 -49.28 76.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.16 -39.96 92.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -57.71 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.616 ' CD1' HD11 ' A' ' 89' ' ' LEU . 37.8 mm -59.63 -40.79 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -56.9 -42.38 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 56.0 m-85 -66.49 -43.43 85.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.42 -35.16 88.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -54.0 -30.19 46.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.24 -30.68 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.9 167.74 19.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.09 41.41 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -115.76 -36.18 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.66 116.7 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.06 -38.67 70.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -57.24 -42.17 80.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.7 mmm -60.97 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -62.4 -47.95 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.41 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 7.4 tpt -59.94 -45.13 93.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.06 74.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.701 ' HA ' HD11 ' A' ' 86' ' ' ILE . 45.9 t0 -71.85 -37.01 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -67.49 -41.3 84.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.727 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.8 m95 -80.74 -47.76 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 59' ' ' LEU . 25.8 mt -95.48 111.76 23.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.0 p -87.15 33.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.43 106.73 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 19.7 mmtp -58.49 -18.36 28.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 20.3 t70 -89.05 -32.07 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.761 HD12 HG23 ' A' ' 34' ' ' THR . 19.3 mt -74.84 -30.96 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.701 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.6 mt -59.3 -54.15 59.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.74 -41.17 4.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.29 . . . . 0.0 112.341 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' VAL . 53.2 tttt -64.58 -48.14 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.789 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.7 tp -57.83 -34.87 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.6 m-85 -81.21 -21.06 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -111.88 13.95 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' LYS . 51.0 t -132.88 -73.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.789 HD12 ' CD1' ' A' ' 89' ' ' LEU . 44.8 mt -74.1 -43.26 58.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.33 -56.55 10.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.78 -38.7 7.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -60.26 -36.96 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 25.8 m-85 -90.34 -38.92 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 32.2 tttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.481 HG22 ' CE1' ' A' ' 125' ' ' TYR . 65.5 p -106.31 161.66 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -135.09 134.34 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.587 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 9.4 ttt -103.96 125.15 50.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.97 141.3 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -98.24 135.31 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.737 0.779 . . . . 0.0 111.123 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.3 mtp . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.709 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.621 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -140.75 160.81 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.504 HG11 ' HE ' ' A' ' 41' ' ' ARG . 84.0 t -122.71 131.74 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.765 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -122.0 138.83 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 150.26 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.481 ' CE1' HG22 ' A' ' 105' ' ' THR . 14.3 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 64.6 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -38.91 79.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -59.78 -41.36 90.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.14 -37.39 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' A' ' 48' ' ' ARG . 14.5 mt -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.461 HD12 ' CE3' ' A' ' 79' ' ' TRP . 77.6 mt -66.12 -44.02 85.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 85' ' ' LEU . 55.8 m -63.32 -48.24 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -36.69 77.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.4 tp -59.78 -48.5 81.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.693 ' CG1' HD22 ' A' ' 85' ' ' LEU . 87.9 t -67.07 -40.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -52.11 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 9.1 m80 -102.89 12.29 36.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' LEU . 5.0 pt-20 39.92 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.7 ttt180 -176.33 131.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.499 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.4 pt -146.61 159.14 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HG3' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -105.42 119.91 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.14 161.26 30.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.691 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.884 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.6 Cg_endo -69.79 167.84 23.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.4 t-105 -59.61 -43.7 93.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.76 97.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 24.9 mmm180 -76.29 -31.29 58.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 45' ' ' PRO . 74.3 t -70.21 -47.02 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.75 -48.17 78.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.621 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.2 ppp? -70.93 -33.74 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 52' ' ' MET . 47.4 ttt180 -57.29 -46.78 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.21 99.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.473 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 48.3 m-85 -68.91 -39.5 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.96 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.18 -49.09 77.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -59.32 -42.58 91.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.23 -45.14 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 ' HZ2' ' A' ' 64' ' ' LYS . 36.1 mm -61.06 -42.1 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -57.02 -44.44 82.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -66.77 -39.29 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.94 -36.31 89.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HZ2' HG22 ' A' ' 60' ' ' ILE . 43.0 mttp -54.77 -30.73 57.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.69 -35.83 81.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.37 160.0 11.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.78 43.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -112.92 -38.21 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -76.78 135.03 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.94 -33.75 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -66.44 -44.68 82.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.82 88.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 14.7 mmt -70.28 -49.15 52.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -63.1 -41.05 99.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.35 -42.75 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.9 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.686 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.5 t70 -71.82 -34.81 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -69.67 -42.49 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.473 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 65.9 m95 -80.86 -48.23 12.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.52 HD11 HD22 ' A' ' 89' ' ' LEU . 94.4 mt -98.37 120.42 38.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -86.06 -39.42 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.68 103.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.6 mmtp -53.84 -14.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.3 t0 -87.86 -32.56 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.767 HD12 HG23 ' A' ' 34' ' ' THR . 29.9 mt -74.4 -31.48 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.4 mt -58.0 -54.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.67 -41.62 4.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.671 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.3 tttt -63.79 -47.54 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.2 tp -54.82 -34.46 62.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -80.71 -23.56 39.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -112.11 16.74 20.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 88' ' ' LYS . 23.1 t -129.64 -69.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 89' ' ' LEU . 42.5 mt -80.01 -40.43 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.31 -56.46 10.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.533 0.682 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.8 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -42.12 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.6 m-85 -110.16 41.11 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.3 p -108.78 152.79 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -133.18 141.02 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE1' ' CD2' ' A' ' 46' ' ' TRP . 1.6 ttt -111.87 130.1 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 tp -119.48 141.37 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.63 137.97 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 78.9 mmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.06 160.33 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 43' ' ' GLU . 83.2 t -119.13 131.35 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.621 HD13 ' SD ' ' A' ' 52' ' ' MET . 16.9 tt -118.47 137.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -151.06 151.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 15.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.901 0.381 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 55' ' ' TYR . 15.3 mt -59.02 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -64.24 -42.66 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.07 -32.52 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 48' ' ' ARG . 29.9 mt -68.98 -41.41 77.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.05 -44.89 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.044 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 85' ' ' LEU . 17.5 m -66.92 -48.11 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.24 78.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.722 HD22 ' CE ' ' A' ' 52' ' ' MET . 11.2 tp -59.5 -48.31 82.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.43 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -57.96 -52.21 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.2 m-70 -99.93 9.63 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 37.4 mt-10 39.67 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.3 ttp85 -177.48 131.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.713 HD12 HD22 ' A' ' 32' ' ' LEU . 10.9 pt -146.83 159.16 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.41 118.9 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 159.27 33.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.8 169.91 17.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.1 t-105 -62.04 -33.24 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -43.44 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.7 tpp180 -76.69 -36.43 57.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG11 ' CE ' ' A' ' 107' ' ' MET . 7.6 t -63.31 -52.53 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.14 -48.86 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.0 -45.96 86.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.722 ' CE ' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -71.16 -33.53 70.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -55.5 -45.52 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.59 -43.26 99.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.721 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 61.3 m-85 -68.89 -44.25 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' ' OH ' ' A' ' 125' ' ' TYR . . . -62.33 -41.49 98.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.85 -49.08 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.13 -39.12 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 80' ' ' LEU . 12.7 tp -61.19 -44.74 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.528 HD13 HD11 ' A' ' 89' ' ' LEU . 35.7 mm -61.98 -42.02 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.32 -42.76 92.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 24.6 m-85 -63.59 -45.76 88.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.99 -35.56 87.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -54.68 -30.9 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.93 -34.55 78.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.87 176.53 21.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.15 40.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 -35.86 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -82.4 117.96 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -55.41 -40.76 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.89 -38.88 87.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.89 86.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.59 -49.07 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 75' ' ' MET . 1.6 ppt_? -67.45 -38.41 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.466 ' N ' ' HD2' ' A' ' 74' ' ' ARG . 8.5 tpt -63.0 -44.63 95.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.25 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.6 t0 -72.11 -37.94 69.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.36 -43.92 89.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.721 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.2 m95 -80.8 -47.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.733 HD11 HD21 ' A' ' 59' ' ' LEU . 29.7 mt -100.32 111.97 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.5 p -75.37 -35.72 61.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.4 mm-40 -53.94 108.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 25.0 mmtp -62.99 -20.47 65.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 4.1 p-10 -88.38 -27.93 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 34' ' ' THR . 17.9 mt -75.24 -33.64 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 77' ' ' ASP . 35.5 mt -57.8 -53.02 70.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.84 -41.24 4.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -64.19 -43.46 95.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 93' ' ' LEU . 13.3 tp -59.64 -34.82 73.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -80.05 -20.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.86 10.49 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.0 t -129.64 -73.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.987 HD12 HD13 ' A' ' 89' ' ' LEU . 31.1 mt -72.45 -41.67 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.78 -56.15 16.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.569 0.7 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.2 Cg_endo -69.79 -41.0 4.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.63 2.22 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -59.68 -38.48 81.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 43.7 m-85 -88.48 -30.93 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.45 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 5.6 m-85 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.1 p -105.89 162.95 13.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -142.57 141.38 31.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.49 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 5.0 ttm -108.5 143.55 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' N ' ' HG2' ' A' ' 107' ' ' MET . 20.9 tp -130.35 133.07 46.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -84.99 136.78 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.5 mmm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.98 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.04 123.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.7 tt -114.49 137.17 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 105' ' ' THR . 23.1 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.9 p -94.11 132.82 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -156.13 135.53 12.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.38 128.66 6.32 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -172.66 168.52 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -147.14 156.9 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 -55.05 2.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.4 tm? -62.38 -47.27 84.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.99 -40.15 88.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -61.29 -42.89 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -65.87 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.25 -44.47 88.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 55.5 mt -63.24 -44.1 96.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.751 HG23 HD12 ' A' ' 85' ' ' LEU . 30.6 m -66.05 -43.61 86.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.46 84.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -61.64 -48.2 81.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.31 -41.17 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -55.88 -51.93 65.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ARG . 6.0 m80 -103.08 12.85 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' LEU . 70.6 mt-10 40.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -175.97 131.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 36' ' ' LEU . 29.0 pt -145.8 159.13 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' OE2' HD11 ' A' ' 110' ' ' ILE . 3.6 tm-20 -109.26 120.79 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.58 161.08 31.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.551 0.691 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.888 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.1 Cg_endo -69.83 173.88 10.39 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -61.45 -47.58 85.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.5 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.18 -37.51 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.1 t -65.14 -47.35 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.33 -48.66 74.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.96 -46.04 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.3 ppp? -70.44 -32.96 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 64.6 ttt180 -61.8 -44.8 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.25 99.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.747 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.2 m-85 -71.97 -43.81 64.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 110.916 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.37 95.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.24 -48.98 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 19.1 tptt -60.62 -39.25 87.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 80' ' ' LEU . 26.8 tp -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.598 HD13 HD11 ' A' ' 89' ' ' LEU . 41.1 mm -62.08 -42.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.17 -43.47 82.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 32.4 m-85 -69.09 -39.8 78.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -35.92 88.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.95 -30.77 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.02 -33.52 75.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.05 172.67 19.1 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -80.87 41.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -111.28 -30.5 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -86.46 131.96 34.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.88 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -60.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.48 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.0 mmt -66.22 -49.17 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -62.89 -36.89 84.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 10.5 mtp -65.97 -45.01 83.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.7 83.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.699 ' HA ' HD11 ' A' ' 86' ' ' ILE . 36.1 t0 -72.06 -36.97 69.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -72.84 -43.72 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.747 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.9 m95 -80.21 -48.1 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.658 HD11 HD21 ' A' ' 59' ' ' LEU . 14.7 mt -104.68 124.31 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.5 p -83.83 -45.66 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -41.7 102.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtm -58.07 -19.37 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 15.4 t70 -89.23 -31.01 18.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 34' ' ' THR . 19.9 mt -75.02 -29.81 60.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.4 mt -59.88 -53.94 60.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.092 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.8 -41.17 4.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' CG ' HG21 ' A' ' 92' ' ' VAL . 26.7 tttp -60.6 -45.99 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -56.44 -36.43 69.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.555 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -81.05 -19.89 42.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -111.97 13.96 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' LYS . 33.6 t -131.32 -72.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 89' ' ' LEU . 24.0 mt -76.21 -43.36 42.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.74 -56.53 8.44 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.7 Cg_endo -69.83 -35.02 13.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.1 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 38.8 m-85 -88.3 -31.09 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.2 tmtt? -34.32 -44.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.09 -45.91 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.79 158.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 101' ' ' THR . 24.4 m -116.44 40.1 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.01 -176.06 16.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 45.87 86.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.8 m-85 -95.48 -46.75 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.89 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 125' ' ' TYR . 69.7 p -106.34 164.91 11.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -136.32 135.79 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.623 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.7 ttt -104.48 134.02 48.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.83 149.2 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -97.91 136.83 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.543 HD11 ' OE2' ' A' ' 43' ' ' GLU . 26.0 pt -140.67 151.49 63.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.96 13.45 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.746 2.297 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.433 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 1.3 t30 -110.2 132.86 53.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -108.0 39.0 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.423 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 7.2 t -118.61 147.75 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.0 tp -41.35 -57.85 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.89 138.09 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.87 137.45 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' A' ' 112' ' ' ASN . . . -145.43 162.47 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.71 102.64 11.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.6 mmm -112.93 155.63 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.64 156.42 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 110' ' ' ILE . 66.7 t -114.29 131.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 52' ' ' MET . 12.2 tt -117.09 139.78 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' OE1' ' ND2' ' A' ' 128' ' ' ASN . 1.2 pp20? -150.72 142.02 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.737 ' CD1' HG22 ' A' ' 105' ' ' THR . 9.5 m-85 -72.91 136.33 45.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -64.93 78.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.88 57.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.402 ' ND2' ' OE1' ' A' ' 124' ' ' GLU . 2.1 p30 -117.34 169.17 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 98.8 m -116.19 43.75 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.5 mt -104.37 149.42 37.33 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.59 0.709 . . . . 0.0 110.962 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.29 56.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -179.52 2.98 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 133' ' ' LEU . 4.5 pp -142.43 152.35 60.2 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.689 0.757 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 117.92 5.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 135' ' ' LEU . 1.4 pt? -71.55 149.99 93.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 123.51 10.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 22.5 t -73.67 -58.4 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -47.54 137.96 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -9.19 25.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 m -128.32 131.65 48.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -115.13 -60.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 m -72.75 97.07 2.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -129.55 177.29 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.795 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.18 -114.09 0.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -79.9 177.71 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -61.96 84.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.52 38.9 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.9 mt -74.29 -42.7 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.873 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.5 tp -64.64 -45.41 86.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -60.12 -41.59 92.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -67.91 -32.25 72.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.5 mt -65.11 -44.69 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.76 -44.28 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.799 HG23 HD12 ' A' ' 85' ' ' LEU . 19.6 m -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.93 81.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.758 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.6 tp -60.0 -47.67 84.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.5 -40.47 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -52.11 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 6.3 m80 -102.88 11.31 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.2 mt-10 39.8 25.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.573 HH21 ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -176.97 130.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.483 ' N ' ' HE ' ' A' ' 41' ' ' ARG . 20.2 pt -146.4 159.7 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.573 ' N ' HH21 ' A' ' 41' ' ' ARG . 18.5 tt0 -102.56 118.81 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 160.9 31.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.817 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.79 171.26 14.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.46 96.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 11.8 mmm-85 -76.41 -34.77 58.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.5 t -64.95 -53.19 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.22 -48.43 78.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.76 -45.9 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.758 ' HE1' HD22 ' A' ' 36' ' ' LEU . 14.9 ptm -71.0 -33.42 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -56.48 -45.62 80.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.38 -43.57 99.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.873 ' CD2' HD21 ' A' ' 29' ' ' LEU . 51.5 m-85 -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.91 78.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.39 -48.06 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.2 tppp? -61.28 -41.31 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.843 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -57.51 -46.9 83.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.533 HD13 HD11 ' A' ' 89' ' ' LEU . 37.9 mm -61.76 -40.03 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.55 -41.49 85.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 38.3 m-85 -70.14 -40.42 74.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.46 90.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.09 -30.55 59.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.98 -33.7 76.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.33 170.34 20.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -81.02 41.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -110.58 -26.28 9.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -93.33 121.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.47 -34.85 67.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.21 -41.93 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.09 86.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 79.9 mmm -70.83 -49.04 50.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.52 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -44.66 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.54 72.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.803 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.9 t70 -72.14 -37.81 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.44 -43.38 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.53 -48.04 13.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 HD21 ' A' ' 59' ' ' LEU . 16.3 mt -98.55 117.92 34.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -80.58 -36.67 32.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 85' ' ' LEU . 12.1 mm-40 -52.64 107.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtt -62.43 -22.85 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 10.5 t0 -86.19 -28.24 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.799 HD12 HG23 ' A' ' 34' ' ' THR . 17.5 mt -74.37 -34.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.8 mt -56.17 -54.34 53.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.737 . . . . 0.0 111.197 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.77 -41.16 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -47.5 86.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 93' ' ' LEU . 13.2 tp -59.43 -34.79 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.7 -19.57 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -111.68 8.98 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 93' ' ' LEU . 25.0 t -127.37 -73.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 92' ' ' VAL . 15.7 mt -73.24 -43.51 61.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.03 -56.34 10.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 111.135 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.7 Cg_endo -69.84 -36.61 10.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.296 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -62.61 -37.02 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 30.5 m-85 -89.39 -35.47 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' TYR . 35.4 tttt -34.0 -46.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.68 -46.79 52.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 27.1 mt-30 -58.37 160.51 5.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 66.7 p -116.09 39.51 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.7 -174.77 20.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.45 89.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.8 m-85 -111.4 -47.77 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.979 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.684 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.1 p -106.05 157.42 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -132.22 141.82 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -110.82 142.12 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.0 tp -135.25 146.89 49.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 4.3 tt0 -95.8 143.06 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.642 HD13 HG23 ' A' ' 122' ' ' VAL . 28.3 pt -145.86 151.19 45.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 167.4 24.59 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' SER . 8.5 ttm180 -97.79 168.03 10.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 8.1 t -34.85 -46.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 116' ' ' ASP . 9.5 tp -49.75 156.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 115' ' ' LEU . 85.5 m-20 -34.42 149.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -46.32 141.29 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -156.72 146.11 20.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -85.78 97.35 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 85.0 mmm -116.31 147.43 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -141.43 160.91 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.642 HG23 HD13 ' A' ' 110' ' ' ILE . 96.8 t -115.96 135.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.59 131.0 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.05 147.78 27.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.684 ' CE1' HG22 ' A' ' 105' ' ' THR . 46.4 m-85 -70.99 154.98 41.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -71.67 80.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -169.82 -58.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -65.5 146.45 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.55 43.79 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.9 mt -53.46 146.59 23.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.29 19.18 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -45.67 143.76 2.91 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 118.98 6.01 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -57.04 147.16 56.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.61 ' N ' HD22 ' A' ' 135' ' ' LEU . 53.3 Cg_endo -69.83 126.24 13.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.74 2.294 . . . . 0.0 112.299 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -135.51 137.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 158.0 137.35 2.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 125.95 12.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.719 2.28 . . . . 0.0 112.326 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 76.3 p -64.45 97.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 p -131.52 162.79 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.448 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.58 107.74 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -142.4 121.69 13.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.63 -118.94 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -162.02 169.77 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -108.35 150.83 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.94 -47.22 1.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.42 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.1 pp -63.72 -40.65 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -60.04 -41.57 92.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.12 -33.58 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 15.3 mt -63.49 -44.67 93.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.05 -44.53 84.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 85' ' ' LEU . 14.4 m -64.05 -46.83 82.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.42 -36.77 84.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.684 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.6 tp -59.83 -47.17 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 85' ' ' LEU . 72.3 t -66.63 -41.62 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.723 ' HG2' HD11 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -57.21 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.0 m-70 -99.75 10.65 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 38.6 25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.726 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 39.8 ttt85 -177.91 131.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.2 pt -146.94 158.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 32.1 tt0 -107.82 119.91 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.98 161.63 29.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.581 0.705 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.4 Cg_endo -69.82 173.97 10.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -61.91 -40.4 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.71 96.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.2 mpt_? -76.39 -43.16 41.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.6 t -59.05 -52.98 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -62.11 -48.88 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.56 ' OE2' HD23 ' A' ' 29' ' ' LEU . 25.4 tt0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.684 ' HE1' HD22 ' A' ' 36' ' ' LEU . 12.9 ptm -71.23 -33.11 69.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 23.3 ttp180 -55.61 -48.31 75.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.62 99.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.2 m-85 -68.56 -37.42 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -61.84 -49.54 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.36 -40.53 97.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.31 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 89' ' ' LEU . 36.3 mm -58.39 -38.21 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -57.67 -44.09 85.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 45.1 m-85 -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.535 ' HA2' ' CZ ' ' A' ' 90' ' ' PHE . . . -59.99 -35.74 88.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.85 -30.7 58.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.297 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.2 -27.52 68.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.61 177.42 29.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -82.4 38.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.8 p -110.35 -37.2 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -77.67 112.0 14.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.5 pt-20 -53.74 -48.64 69.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.79 -40.65 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -45.65 83.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.443 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 8.8 mmt -69.39 -38.45 77.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 6.7 mmt180 -56.36 -51.39 68.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.401 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 9.8 ttt -66.98 -45.07 78.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.53 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 86' ' ' ILE . 17.1 t0 -70.58 -38.78 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -62.8 -41.85 99.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.582 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 66.0 m95 -80.76 -47.77 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.2 111.55 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -82.77 -17.16 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 85' ' ' LEU . 5.2 mm-40 -75.62 98.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -54.16 -14.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 29.8 t70 -90.35 -33.49 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 38' ' ' ARG . 33.7 mt -75.24 -30.25 60.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.1 mt -60.08 -53.87 60.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.75 -41.27 4.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.5 tttt -65.16 -46.51 80.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.811 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -55.98 -35.16 66.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.7 m-85 -78.76 -22.4 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -111.89 12.42 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 88' ' ' LYS . 29.0 t -128.13 -71.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 HD13 ' A' ' 89' ' ' LEU . 36.0 mt -76.41 -42.69 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.85 -56.2 10.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.542 0.687 . . . . 0.0 111.186 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.81 -22.89 31.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -74.93 -43.27 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 98' ' ' LYS . 31.9 m-85 -87.01 -42.36 13.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 17.9 tptp -33.81 -41.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.65 -46.63 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' TYR . 47.6 mt-30 -53.4 169.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 101' ' ' THR . 11.0 m -114.43 42.56 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.92 -170.77 13.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.57 89.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.2 m-85 -109.91 -44.28 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.954 0.407 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.6 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.7 p -107.88 161.8 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -134.01 140.13 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.97 131.17 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.7 tp -122.55 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.17 129.73 39.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.24 151.66 78.74 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -178.96 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 118' ' ' ALA . 26.5 m-20 -129.31 -174.82 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -71.23 124.26 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -40.33 -43.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.797 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.2 mm? -76.99 -61.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.06 113.13 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -92.92 101.89 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 112' ' ' ASN . . . -133.29 108.27 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -48.22 103.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 85.1 mmm -113.16 151.78 30.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.6 156.8 42.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 93.0 t -118.2 130.11 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.7 tt -115.63 137.13 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -149.49 145.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CE1' HG22 ' A' ' 105' ' ' THR . 25.5 m-85 -73.99 154.45 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -63.99 77.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -166.32 174.8 41.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.452 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -122.69 78.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.27 -41.59 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.6 mt -98.65 151.83 37.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.38 67.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 169.74 18.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.401 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 133' ' ' LEU . 2.8 pp -155.28 154.87 29.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 130.1 18.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.619 2.213 . . . . 0.0 112.314 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.67 141.27 31.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 131.12 20.47 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.8 m -50.92 125.85 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -159.0 79.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 167.7 23.78 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 t -63.43 133.64 54.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.8 p -109.11 -47.1 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.3 m -93.95 90.74 6.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 p -76.32 -43.76 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.28 156.24 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -144.92 169.13 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.91 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.501 ' O ' HD12 ' A' ' 28' ' ' LEU . 20.0 m -88.05 165.74 14.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.54 -54.11 4.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.653 ' H ' HD12 ' A' ' 28' ' ' LEU . 4.1 mp -64.29 -45.06 89.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD11 ' OE1' ' A' ' 51' ' ' GLU . 12.2 mt -59.17 -46.78 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 20.4 mtp180 -59.77 -43.75 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.37 -32.31 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.47 -45.01 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 91.3 mt -65.35 -44.85 86.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.579 HG23 HD12 ' A' ' 85' ' ' LEU . 19.3 m -62.9 -47.85 81.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.13 91.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.4 tp -59.33 -47.76 84.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 33' ' ' LEU . 54.1 t -65.76 -40.22 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -57.92 -52.72 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -102.22 13.6 34.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.3 mt-10 39.45 25.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' HIS . 16.1 ttt180 -179.44 131.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 52' ' ' MET . 6.4 pt -146.55 159.69 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -106.45 122.26 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.9 161.83 28.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.955 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.4 Cg_endo -69.77 173.37 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.522 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.8 t-105 -62.3 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.4 mpt_? -76.43 -39.05 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.6 t -62.53 -52.64 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.38 -48.93 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.534 ' OE1' HD11 ' A' ' 29' ' ' LEU . 20.0 tt0 -60.74 -46.07 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.594 ' HE1' HD11 ' A' ' 42' ' ' ILE . 16.3 ptm -71.25 -32.88 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 31.9 ttp180 -57.21 -47.34 81.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.46 99.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.781 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 55.0 m-85 -70.45 -36.18 73.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.0 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.62 -48.97 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 10.7 tppt? -60.93 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD21 HD11 ' A' ' 80' ' ' LEU . 17.6 tp -60.63 -50.28 74.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.592 HD13 HD11 ' A' ' 89' ' ' LEU . 37.1 mm -57.93 -42.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.78 -43.97 85.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 26.6 m-85 -60.93 -45.58 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.75 -37.13 91.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -54.9 -30.05 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.26 -39.13 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.72 162.89 9.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.525 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 p30 -84.35 -26.07 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -68.16 -27.08 66.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.73 119.55 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 54.0 mt-10 -64.65 -40.43 95.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -57.73 -45.42 85.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.73 85.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt -60.64 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 31.9 mtp180 -62.25 -44.19 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 6.6 tpt -64.2 -45.16 89.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.5 82.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.667 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.9 t70 -72.08 -38.35 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 28.6 t80 -65.76 -42.5 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.781 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.8 m95 -81.11 -48.13 12.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 89' ' ' LEU . 33.9 mt -97.25 130.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -88.79 -42.63 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -52.97 112.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.5 mmtt -63.48 -22.0 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 19.6 m-20 -85.42 -30.84 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 34' ' ' THR . 24.1 mt -74.4 -30.95 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.5 mt -57.22 -54.59 53.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.71 -41.27 4.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.749 ' CG ' HG21 ' A' ' 92' ' ' VAL . 39.7 tttt -61.09 -44.66 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.665 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.3 tp -54.88 -34.27 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.2 m-85 -80.66 -23.58 39.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.38 17.42 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 88' ' ' LYS . 20.4 t -130.34 -68.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 89' ' ' LEU . 47.8 mt -82.57 -40.7 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.84 -56.86 7.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.72 -36.16 11.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -65.29 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 50.2 m-85 -95.83 -31.38 13.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -37.74 -43.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.41 -46.15 64.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.47 165.65 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 101' ' ' THR . 10.6 m -128.6 41.4 3.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.13 -178.81 18.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.91 89.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.7 m-85 -113.89 -41.69 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -114.78 163.34 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -139.67 141.97 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.642 ' HG3' HG11 ' A' ' 49' ' ' VAL . 3.2 ttt -111.43 132.1 54.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 ' H ' ' A' ' 109' ' ' GLN . 22.7 tp -117.32 152.49 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -104.5 132.52 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 122' ' ' VAL . 16.0 pt -141.61 152.76 64.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 169.55 18.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -104.65 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -89.24 -40.89 12.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m -46.98 161.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -66.2 -61.44 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -64.95 154.9 36.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -71.47 129.97 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.14 115.14 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.522 ' HD3' ' CE3' ' A' ' 46' ' ' TRP . 23.2 ttmt -66.92 82.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -72.38 149.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.651 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -148.54 160.41 43.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 110' ' ' ILE . 73.8 t -119.51 123.87 71.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.494 HG21 ' SD ' ' A' ' 52' ' ' MET . 14.6 tt -114.27 134.63 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -149.86 148.23 28.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 127' ' ' GLY . 24.2 m-85 -69.14 155.01 41.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' GLY . 4.1 tppp? -60.42 75.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . 40.32 93.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.487 ' ND2' ' HB3' ' A' ' 125' ' ' TYR . 2.5 m-80 -112.44 -55.08 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' CYS . . . . . 0.487 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 9.1 t -122.08 -43.25 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 mt -70.16 152.04 95.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.85 55.21 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.79 67.41 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -127.67 138.76 33.53 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.607 0.718 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.272 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.88 142.4 48.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -49.55 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.5 p -171.56 142.08 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.72 95.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.34 7.14 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -99.67 -48.22 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.9 t -167.28 167.92 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 36.0 m -98.92 42.1 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -109.15 83.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.05 -157.9 45.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -70.3 169.36 13.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m 64.01 42.92 5.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.68 -49.05 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 75.9 mt -76.13 -43.15 44.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 55' ' ' TYR . 79.0 mt -61.11 -43.08 99.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.687 HH21 HG22 ' A' ' 81' ' ' THR . 23.4 mtp180 -59.9 -42.49 93.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -68.21 -34.48 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HE ' ' A' ' 48' ' ' ARG . 24.4 mt -62.78 -45.9 90.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 46.9 mt -65.22 -44.5 88.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 85' ' ' LEU . 8.1 m -65.9 -44.18 86.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.68 80.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.7 tp -61.09 -48.62 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.04 -40.72 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -57.67 -52.04 67.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.0 m-70 -101.8 13.09 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 mt-10 39.85 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 40.8 ttt180 -177.66 131.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 pt -143.32 159.04 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -110.72 118.81 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 161.29 30.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.0 Cg_endo -69.75 172.89 11.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -61.82 -39.52 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.98 99.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HE ' HD11 ' A' ' 32' ' ' LEU . 22.2 mmm-85 -76.29 -37.73 57.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 45' ' ' PRO . 47.4 t -65.55 -46.92 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -64.27 -48.71 74.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.01 -46.22 82.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.797 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.64 -32.71 70.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 38.1 ttt180 -61.24 -44.43 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.7 -43.38 99.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.797 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 58.4 m-85 -69.47 -36.86 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.65 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.01 -48.98 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -60.48 -40.56 91.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 13.6 tp -59.0 -43.45 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 89' ' ' LEU . 36.2 mm -63.12 -42.09 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.19 -44.81 83.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.15 -41.89 96.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -35.93 88.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -55.93 -30.74 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.75 -32.09 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.26 166.93 21.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.42 42.52 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -112.67 -21.57 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -97.88 123.73 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.73 -36.82 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -61.5 -40.66 95.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.43 88.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.2 mmm -68.54 -49.24 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -63.24 -39.67 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.21 -42.76 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.9 70.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 86' ' ' ILE . 33.8 t0 -71.95 -35.32 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.495 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 41.3 t80 -68.84 -44.03 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.797 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.6 m95 -81.18 -48.31 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 52.3 mt -97.23 104.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.687 HG22 HH21 ' A' ' 30' ' ' ARG . 32.6 p -69.25 -35.2 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.1 mm-40 -57.02 110.41 0.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 30.6 mmtt -62.91 -24.99 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.433 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 17.9 t0 -82.78 -31.1 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 34' ' ' THR . 19.2 mt -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.8 mt -55.24 -55.4 39.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.8 Cg_endo -69.82 -41.17 4.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 92' ' ' VAL . 11.0 ttpt -60.92 -47.87 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.963 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -56.85 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -81.27 -18.94 44.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -110.6 10.04 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG21 ' HG2' ' A' ' 88' ' ' LYS . 66.2 t -132.63 -74.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.963 HD12 HD13 ' A' ' 89' ' ' LEU . 30.0 mt -68.5 -40.64 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -52.0 -56.83 18.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.81 -39.89 5.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.366 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.21 -47.94 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . 56.7 m-85 -97.36 37.09 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -90.95 -47.48 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.34 -44.58 74.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -57.33 164.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -133.65 46.81 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.54 122.73 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.32 79.99 1.0 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 97' ' ' TYR . 5.7 m-85 -108.56 -44.87 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.978 0.418 . . . . 0.0 110.931 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 70.9 p -106.31 160.45 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -132.56 140.72 48.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.4 ttt -105.77 136.82 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.1 tp -128.97 147.54 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -102.98 121.41 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.9 pt -122.68 141.8 36.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 117' ' ' ARG . 1.1 m-80 -132.62 164.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -39.9 -57.41 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' LEU . 65.6 m -92.67 154.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 43.6 mt -34.32 -62.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.21 63.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.481 ' HB3' ' CB ' ' A' ' 112' ' ' ASN . 49.5 ttt180 -63.58 -56.59 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.74 170.87 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -84.29 92.31 7.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.8 mmm -104.74 153.09 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.97 160.3 44.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.405 HG11 ' HE ' ' A' ' 41' ' ' ARG . 83.6 t -124.85 131.95 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.797 HD13 ' SD ' ' A' ' 52' ' ' MET . 18.8 tt -119.81 133.13 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 154.92 38.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -79.17 136.12 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 127' ' ' GLY . 20.3 mttp -39.32 -65.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 126' ' ' LYS . . . 34.73 -109.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.536 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -120.0 179.33 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 46.9 t -82.34 90.94 6.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.75 151.62 52.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 53.9 Cg_endo -69.82 121.65 8.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.313 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 54.7 Cg_endo -69.74 134.04 27.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.7 mt -63.03 118.1 39.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 153.16 68.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.276 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.8 mp -41.92 160.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.703 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 2.12 3.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 t -115.82 173.6 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -41.98 135.42 3.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.66 3.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 t -101.01 153.69 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.9 p -100.63 -54.37 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.0 p -163.12 135.84 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 m -65.31 -52.42 54.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.71 109.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -97.83 41.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 t -70.72 -48.16 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.59 41.09 0.25 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.81 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.62 -48.1 17.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.01 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.4 OUTLIER -59.0 -46.65 87.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.96 -42.92 97.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -69.46 -31.02 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 42' ' ' ILE . 31.4 mt -70.12 -41.89 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD12 ' CE3' ' A' ' 79' ' ' TRP . 82.8 mt -65.59 -44.75 85.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.735 HG23 HD12 ' A' ' 85' ' ' LEU . 8.9 m -65.82 -48.12 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.57 -36.19 76.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.8 tp -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.7 t -66.89 -40.58 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.26 -52.38 65.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.0 m-70 -100.23 9.53 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LEU . 30.6 mt-10 39.53 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 27.7 ttp180 -178.0 130.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 5.1 pt -147.91 160.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.05 119.16 38.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.54 30.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.777 ' O ' HG23 ' A' ' 49' ' ' VAL . 52.7 Cg_endo -69.86 170.75 15.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.611 2.207 . . . . 0.0 112.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.455 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 8.0 t-105 -61.09 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.68 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.1 mmt85 -76.62 -34.87 58.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 45' ' ' PRO . 54.1 t -66.1 -51.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.37 -48.6 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.09 -45.51 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.738 ' HE1' HD22 ' A' ' 36' ' ' LEU . 21.2 ptm -70.67 -33.04 70.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 107' ' ' MET . 14.5 ttm180 -58.5 -46.6 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.72 -43.21 99.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 56.2 m-85 -69.99 -40.1 75.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.81 84.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -48.86 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -62.22 -40.12 95.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -58.09 -48.64 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.672 HD13 HD11 ' A' ' 89' ' ' LEU . 45.8 mm -60.19 -41.97 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -56.36 -42.79 78.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 28.3 m-85 -70.53 -38.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.09 82.91 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 60' ' ' ILE . 62.2 mttt -53.65 -31.22 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.0 mt -66.21 -32.89 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.51 176.91 21.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.44 39.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -115.0 -27.13 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -82.4 133.52 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.83 -48.0 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -57.88 -39.38 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.43 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.5 mmt -70.18 -49.3 51.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -59.13 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mtp -58.91 -43.53 91.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.0 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 86' ' ' ILE . 34.9 t0 -72.0 -41.78 67.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.4 -43.44 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 1.01 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 22.4 m95 -76.35 -47.59 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.624 HD11 HD22 ' A' ' 89' ' ' LEU . 33.4 mt -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.006 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -77.68 -33.01 53.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 85' ' ' LEU . 9.7 mm-40 -57.39 112.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 9.5 mmpt? -63.13 -20.42 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.2 m-20 -88.3 -28.1 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.735 HD12 HG23 ' A' ' 34' ' ' THR . 19.4 mt -75.22 -33.2 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.602 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -58.18 -53.68 63.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.19 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.84 -41.05 4.51 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.625 2.216 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.505 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.88 -34.77 65.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.3 m-85 -80.83 -19.78 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -111.66 11.95 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 93' ' ' LEU . 14.3 t -131.33 -74.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 89' ' ' LEU . 27.6 mt -72.56 -41.9 65.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.696 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.96 -56.32 14.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.696 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.77 -34.15 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.382 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -64.74 -39.6 93.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.57 39.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -80.58 -38.79 28.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.2 p-10 -86.36 -45.02 11.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 99' ' ' ASP . 32.3 mt-30 -34.2 132.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -115.44 35.81 4.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 122.85 2.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.76 82.2 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -101.34 -39.51 7.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 125' ' ' TYR . 80.4 p -106.01 165.64 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.41 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 35.7 mtp180 -127.19 140.77 52.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.455 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 6.4 ttt -105.63 125.7 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 tp -114.99 143.25 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.67 140.17 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 122' ' ' VAL . 48.0 pt -141.9 151.94 60.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.32 12.83 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -117.8 118.92 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -97.24 -42.65 7.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 m -42.76 142.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.9 mt -48.05 -51.82 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -56.77 142.48 40.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -165.71 136.35 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -68.13 83.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 mmt -79.94 141.1 36.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.42 156.32 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 110' ' ' ILE . 79.5 t -117.63 134.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 36' ' ' LEU . 16.9 tt -117.66 137.03 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -145.27 154.37 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 105' ' ' THR . 8.8 m-85 -84.78 124.1 31.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . 21.5 ttmt -72.06 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -159.28 -42.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -108.11 160.76 15.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 17.9 t -107.15 95.62 5.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.7 mt -79.32 157.23 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 169.76 18.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.244 . . . . 0.0 112.368 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.32 8.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 133' ' ' LEU . 3.7 pp -134.54 151.88 76.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 135' ' ' LEU . 1.6 pt? -83.86 151.48 61.02 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.55 12.42 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.1 t -88.07 -46.6 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.54 157.99 28.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 165.68 30.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 97.6 p -74.79 95.22 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 88.9 p -119.04 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -127.52 -43.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -61.42 -48.44 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.98 -174.52 25.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m -95.76 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.828 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 p -174.87 137.27 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.38 -37.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.7 mp -64.77 -42.34 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 55' ' ' TYR . 2.4 tt -59.21 -48.06 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -60.57 -39.78 89.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.31 -34.63 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 42' ' ' ILE . 21.0 mt -65.44 -45.97 81.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.77 -44.98 94.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 HD12 ' A' ' 85' ' ' LEU . 16.8 m -67.65 -44.99 76.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.21 -36.56 79.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -61.28 -48.42 81.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.9 -40.78 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.97 -52.31 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' ARG . 15.9 m-70 -102.63 11.52 37.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.0 mp0 39.99 25.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.0 ttt180 -176.9 131.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.552 HD12 HD22 ' A' ' 32' ' ' LEU . 16.7 pt -146.64 159.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 35.4 tt0 -106.55 120.61 42.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.09 160.91 31.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.77 170.26 16.99 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.609 2.206 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -62.22 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.39 93.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 15.5 mmm-85 -76.52 -38.45 55.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 107' ' ' MET . 29.4 t -63.06 -49.55 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.93 -49.15 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.88 -46.92 87.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.455 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.0 ppp? -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -58.04 -42.46 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -44.0 98.55 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.5 m-85 -67.17 -43.89 81.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.26 91.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.99 -49.25 78.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -59.56 -42.15 91.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -56.04 -49.19 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.415 HG22 ' HE3' ' A' ' 64' ' ' LYS . 45.2 mm -59.15 -39.81 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.69 -45.18 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.24 -39.23 89.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 -34.96 86.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HE3' HG22 ' A' ' 60' ' ' ILE . 47.7 mttt -53.63 -30.08 41.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.67 168.43 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -79.55 43.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.3 p -116.29 -36.82 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -77.29 125.17 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.1 -43.85 82.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -57.16 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.17 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.415 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 3.6 mmt -68.22 -49.43 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -63.96 -44.94 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 tpt -58.7 -44.66 90.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.39 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.4 t70 -72.42 -34.73 68.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.15 -44.09 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 88.8 m95 -80.99 -47.17 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 89' ' ' LEU . 22.4 mt -97.64 109.41 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.7 p -72.4 -38.25 68.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 85' ' ' LEU . 6.1 mm-40 -55.78 107.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 32.4 mmtp -61.15 -22.84 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.7 t0 -83.7 -30.65 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.684 HD12 HG23 ' A' ' 34' ' ' THR . 21.3 mt -73.38 -31.63 64.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.3 mt -55.62 -55.12 43.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.185 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.83 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.6 tp -59.04 -34.99 72.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.7 m-85 -81.29 -19.42 42.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.49 11.98 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.485 HG21 ' HG2' ' A' ' 88' ' ' LYS . 39.2 t -130.79 -73.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.83 HD12 ' CD1' ' A' ' 89' ' ' LEU . 41.4 mt -72.94 -44.91 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.93 -56.64 8.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.77 -25.88 28.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.618 2.212 . . . . 0.0 112.358 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -69.88 -42.18 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.12 39.07 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -74.81 -53.63 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.7 p30 -80.66 -43.47 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 5.1 mm100 -34.9 140.15 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.975 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.7 p -111.4 36.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.12 167.02 11.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.98 85.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -119.88 -40.44 2.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 0.0 110.908 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.617 HG22 ' CE1' ' A' ' 125' ' ' TYR . 47.8 p -105.92 145.03 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -116.02 139.22 50.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.58 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.6 ttm -104.56 125.95 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 tp -112.48 144.6 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -104.34 136.05 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt -144.05 150.35 48.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.65 0.738 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 -174.81 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.772 2.315 . . . . 0.0 112.348 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -112.69 117.04 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -89.95 40.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -142.98 153.72 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.16 -60.5 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.52 112.16 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . 12.8 mtp-105 -59.42 144.97 45.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.828 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -166.63 161.94 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -93.05 97.04 10.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.45 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 88.4 mmm -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -150.33 160.63 43.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.88 132.27 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.455 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.5 tt -112.97 137.4 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -151.11 142.63 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.617 ' CE1' HG22 ' A' ' 105' ' ' THR . 27.0 m-85 -70.66 152.41 43.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.6 -50.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.73 118.31 4.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p-10 -82.42 43.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 11.5 m -44.39 -53.32 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.8 154.59 58.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 148.18 64.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.399 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 167.98 22.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.404 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -83.45 154.87 66.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.56 12.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.314 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 136' ' ' PRO . 4.4 pp -84.39 153.23 62.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.461 ' O ' HD12 ' A' ' 135' ' ' LEU . 54.0 Cg_endo -69.68 -171.79 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.0 m -56.98 -56.96 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 151.99 -160.69 28.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.74 4.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.6 t -57.54 139.68 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.3 p -95.74 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m 58.03 42.47 22.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -154.6 143.41 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -92.9 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 m -88.06 42.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -47.82 -43.41 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.82 47.27 91.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.8 -43.67 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.33 -47.43 86.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -59.69 -43.12 94.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.44 -32.03 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 42' ' ' ILE . 27.6 mt -63.61 -46.21 86.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD12 ' CE3' ' A' ' 79' ' ' TRP . 31.1 mt -65.34 -44.59 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.681 HG23 HD12 ' A' ' 85' ' ' LEU . 29.2 m -65.23 -44.65 87.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.07 -36.83 81.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 ' HA ' HG23 ' A' ' 42' ' ' ILE . 9.9 tp -60.28 -48.29 82.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.41 -40.61 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -57.95 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 5.6 m80 -101.57 13.29 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.6 mt-10 39.75 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -176.71 131.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.698 HG23 ' HA ' ' A' ' 36' ' ' LEU . 31.2 pt -145.74 159.36 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 48.4 tt0 -113.76 123.48 49.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.777 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.08 160.91 31.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.771 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.2 Cg_endo -69.78 174.24 9.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -62.33 -40.14 95.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HE ' ' CG ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -76.71 -36.32 57.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 45' ' ' PRO . 55.1 t -63.16 -50.19 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.55 -46.5 88.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.687 ' HE3' HD11 ' A' ' 42' ' ' ILE . 2.6 ppp? -70.93 -33.53 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -57.45 -48.96 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.666 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 43.4 m-85 -67.97 -39.21 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.27 99.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.72 -49.2 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 5.8 tppt? -60.47 -38.33 83.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.592 HD21 HD11 ' A' ' 80' ' ' LEU . 21.3 tp -58.54 -49.16 78.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 104' ' ' TYR . 39.8 mm -61.1 -38.56 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.05 -42.47 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 45.2 m-85 -71.1 -41.2 70.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.54 -40.56 96.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.418 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 7.8 mtpm? -54.67 -29.61 53.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.99 -34.01 77.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.62 170.83 22.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 49.6 t0 -78.69 43.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.0 t -111.98 -35.61 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.14 121.72 29.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.4 -37.89 70.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.5 mtm-85 -58.2 -40.92 82.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.21 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 75.7 mmm -64.49 -49.64 70.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 15.8 ptt180 -62.8 -43.13 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.43 ' CE ' ' NE1' ' A' ' 79' ' ' TRP . 7.4 tpt -62.64 -42.92 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.04 -37.91 78.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.685 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t70 -72.32 -37.61 68.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -67.87 -42.58 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.666 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.92 -48.19 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.592 HD11 HD21 ' A' ' 59' ' ' LEU . 31.4 mt -101.57 104.56 15.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 p -68.88 -38.0 79.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.0 mm-40 -52.83 110.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 20.1 mmtp -64.03 -17.69 63.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.5 t70 -88.5 -31.56 18.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD12 HG23 ' A' ' 34' ' ' THR . 24.5 mt -75.22 -32.2 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 77' ' ' ASP . 52.3 mt -57.41 -53.53 64.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.79 -41.41 4.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.609 ' CG ' HG21 ' A' ' 92' ' ' VAL . 37.2 tttt -63.66 -44.36 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.816 ' CD1' HD12 ' A' ' 93' ' ' LEU . 10.3 tp -55.65 -35.14 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.5 m-85 -81.14 -21.74 39.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -112.01 15.47 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.609 HG21 ' CG ' ' A' ' 88' ' ' LYS . 41.5 t -134.2 -69.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 89' ' ' LEU . 39.9 mt -76.83 -45.7 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.659 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.53 -55.59 9.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.722 . . . . 0.0 111.077 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.7 -23.27 31.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 0.0 112.375 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -73.67 -48.05 35.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 36.0 m-85 -103.64 40.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -75.8 -46.03 32.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' GLN . 9.6 t70 -81.38 -41.07 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ASP . 6.3 mm100 -35.72 142.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 101' ' ' THR . 9.8 m -120.74 41.65 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.79 122.43 2.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.32 83.28 1.56 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.452 ' CD1' HG21 ' A' ' 60' ' ' ILE . 5.6 m-85 -104.59 -42.77 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.2 p -106.28 158.76 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -119.19 134.01 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.448 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.6 ttt -105.91 122.23 45.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 55.7 tp -114.51 148.5 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.62 128.54 49.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 HG23 ' A' ' 122' ' ' VAL . 21.5 pt -130.97 151.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.51 12.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -73.69 172.1 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -120.09 -52.23 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.83 163.64 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 116' ' ' ASP . 4.0 pp -44.75 -43.83 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.564 ' N ' HD12 ' A' ' 115' ' ' LEU . 3.9 t0 -68.18 127.43 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -71.87 89.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.25 140.12 35.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.86 104.44 9.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 79.8 mmm -118.08 152.56 35.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -147.63 156.43 42.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 110' ' ' ILE . 77.8 t -116.05 130.49 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.535 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.7 tt -117.71 141.09 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -150.89 143.83 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -67.09 149.8 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -83.4 78.24 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -139.61 175.45 21.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -97.23 77.45 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' CYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 43.9 t -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.6 mt -94.04 153.08 40.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 53.3 Cg_endo -69.86 110.3 2.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 54.0 Cg_endo -69.7 177.0 5.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 pp -142.16 152.32 61.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.294 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.94 150.35 39.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 168.63 20.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 116.59 7.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.46 166.39 31.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 93.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.7 m -90.8 86.7 6.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -60.68 115.22 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.552 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -72.26 169.88 15.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p -95.3 149.16 21.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.73 165.97 39.69 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -125.38 97.02 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -105.42 -51.68 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.31 89.14 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -60.75 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.854 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.1 tp -65.41 -47.01 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -62.26 -37.14 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -66.94 -36.77 82.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 48' ' ' ARG . 17.7 mt -65.2 -44.51 88.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.46 -44.51 96.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 85' ' ' LEU . 22.0 m -65.65 -46.89 77.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.21 81.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 52' ' ' MET . 11.0 tp -59.8 -48.11 83.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' A' ' 125' ' ' TYR . 99.0 t -66.36 -40.48 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -59.07 -52.33 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' ARG . 7.1 m80 -98.59 8.91 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' LEU . 91.5 mt-10 39.61 24.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 ttp85 -178.1 131.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.3 pt -146.1 159.37 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -105.0 118.77 37.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.32 161.02 30.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.808 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.74 170.62 16.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.9 t-105 -62.27 -42.7 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.31 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.1 tpp85 -76.68 -37.55 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.6 t -61.67 -51.28 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.85 -48.84 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.22 -46.6 89.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.542 ' HE1' HD22 ' A' ' 36' ' ' LEU . 2.5 ppp? -71.43 -32.82 68.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' MET . 19.1 ttp180 -57.99 -44.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -43.33 99.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.565 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.854 ' CD2' HD21 ' A' ' 29' ' ' LEU . 49.9 m-85 -69.73 -42.47 73.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.921 0.391 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.31 96.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.49 -49.16 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -60.2 -48.04 83.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.411 HD13 HD11 ' A' ' 89' ' ' LEU . 31.4 mm -58.5 -42.27 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -58.89 -42.08 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.56 -44.9 92.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.73 87.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -55.33 -30.86 61.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.94 -37.28 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.22 169.53 11.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.7 p30 -84.75 -22.19 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -67.52 -32.32 73.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.82 117.32 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -58.05 -42.65 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -59.73 -44.19 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.7 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.8 -48.9 78.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -66.22 -38.73 88.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -66.55 -45.24 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.732 ' HA ' HD11 ' A' ' 86' ' ' ILE . 24.5 t70 -72.14 -38.51 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.5 -43.34 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.9 m95 -80.25 -47.98 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 13.5 mt -99.32 125.01 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.2 p -85.86 -34.26 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 85' ' ' LEU . 16.9 mm-40 -55.54 110.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 49.3 mmtt -64.76 -20.7 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 33.3 t70 -87.63 -31.78 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 34' ' ' THR . 26.8 mt -73.84 -31.04 63.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.5 mt -57.79 -55.08 48.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.8 -40.7 4.95 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HE2' HG11 ' A' ' 92' ' ' VAL . 3.9 tmtt? -62.78 -45.93 90.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 93' ' ' LEU . 13.7 tp -57.22 -35.13 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -81.3 -19.86 42.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -110.28 11.0 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.527 HG11 ' HE2' ' A' ' 88' ' ' LYS . 20.8 t -131.99 -72.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 89' ' ' LEU . 40.7 mt -70.52 -45.01 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.94 -56.86 10.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.078 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.74 -40.17 5.68 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.453 ' O ' ' NE2' ' A' ' 100' ' ' GLN . 40.2 ttm180 -58.19 -39.75 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 31.7 m-85 -87.15 -43.19 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' TYR . 19.8 tttm -34.7 -42.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.48 -49.28 22.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 96' ' ' ARG . 30.1 mt-30 -51.04 176.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -128.09 39.18 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.32 177.16 14.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.13 90.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 3.7 m-85 -107.91 -49.77 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.7 p -106.34 154.48 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -127.82 139.65 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.488 ' HE2' HG11 ' A' ' 49' ' ' VAL . 6.9 ttt -107.2 135.44 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.8 tp -125.3 142.73 51.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -98.08 137.38 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.0 pt -137.91 151.03 69.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 166.65 26.86 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -48.51 172.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -129.87 -55.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.3 p -115.36 -57.32 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 118' ' ' ALA . 28.7 tp -63.26 156.32 25.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.8 -44.07 61.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 117' ' ' ARG . 0.6 OUTLIER -124.38 87.53 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 115' ' ' LEU . . . -133.4 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -114.5 89.62 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.1 mmm -97.42 155.85 16.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.75 161.13 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.37 132.37 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' SD ' ' A' ' 52' ' ' MET . 17.0 tt -116.5 140.08 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.94 145.4 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.567 ' CE1' HG22 ' A' ' 105' ' ' THR . 12.0 m-85 -73.19 129.48 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 125' ' ' TYR . 7.8 tmtm? -35.73 -50.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.77 85.82 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -129.22 170.28 13.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 25.6 p -111.39 -40.77 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.6 mt -43.74 150.04 0.59 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.544 0.687 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.88 63.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.49 14.38 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.5 mt -116.09 144.08 32.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.19 150.63 55.34 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.89 69.33 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.1 t -44.73 -56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.9 85.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.42 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.73 13.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.8 m 49.21 42.92 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.6 m -118.76 -43.99 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -155.96 176.14 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -64.37 -39.65 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.0 65.02 2.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -119.14 -50.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -90.93 155.29 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.46 156.52 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.3 tt -64.39 -46.11 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.05 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -59.91 -42.83 94.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.53 -38.64 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 32' ' ' LEU . 28.9 mt -60.3 -45.43 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.55 -44.65 95.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' CD1' ' A' ' 85' ' ' LEU . 22.9 m -65.55 -45.25 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.22 -36.91 80.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -59.97 -48.18 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.44 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.93 -52.28 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.5 m-70 -102.96 12.43 36.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.5 mt-10 39.62 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' HIS . 54.3 ttt-85 -177.1 131.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.403 HG23 ' HA ' ' A' ' 36' ' ' LEU . 18.6 pt -146.8 159.23 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -106.78 119.74 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.15 161.35 30.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.896 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.7 171.62 14.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 2.0 t-105 -62.54 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.66 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -37.03 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 45' ' ' PRO . 95.7 t -62.27 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.81 -48.92 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.2 -45.54 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.518 ' SD ' HG21 ' A' ' 123' ' ' ILE . 12.5 ptm -70.63 -32.96 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.8 ttt180 -56.0 -47.31 77.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.34 99.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 59.0 m-85 -69.32 -38.15 78.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.75 82.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.91 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 2.9 tppt? -64.13 -38.63 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 80' ' ' LEU . 18.5 tp -59.57 -47.37 85.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 89' ' ' LEU . 40.1 mm -61.73 -42.08 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.24 -41.58 79.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 57.1 m-85 -65.94 -44.19 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.98 -35.77 88.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.408 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -56.33 -30.63 62.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.64 -34.37 78.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.39 169.01 19.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.25 42.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -109.54 -35.35 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -86.85 121.63 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 8.4 pt-20 -57.75 -34.89 70.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 1.3 tmm_? -61.96 -41.66 98.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 84.3 mmm -69.6 -49.63 52.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 34.3 ptt85 -61.44 -41.72 97.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.35 -42.6 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.01 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 86' ' ' ILE . 38.7 t0 -71.37 -34.27 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -68.46 -43.38 77.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.586 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.3 m95 -81.17 -48.14 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 89' ' ' LEU . 67.5 mt -94.4 113.14 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -79.93 -29.37 39.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.793 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.1 mt-10 -64.45 108.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 26.7 mmtp -61.45 -17.68 55.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.4 t70 -88.96 -29.27 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 82' ' ' GLU . 30.8 mt -75.42 -33.18 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 77' ' ' ASP . 55.8 mt -58.05 -53.21 68.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.3 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.401 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 92' ' ' VAL . 9.9 ttpp -63.82 -48.16 77.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.74 -35.39 66.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.6 m-85 -81.19 -20.71 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -112.05 12.57 20.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 93' ' ' LEU . 30.2 t -131.37 -73.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 92' ' ' VAL . 16.3 mt -73.67 -41.53 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.0 -56.5 13.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.76 -23.65 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.79 -41.05 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 55.0 m-85 -88.37 -38.84 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 26.3 tttp -33.37 -38.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' TYR . 44.0 t0 -82.96 -46.56 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' TYR . 21.2 mt-30 -51.92 175.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 101' ' ' THR . 18.7 m -127.18 40.78 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.13 -165.96 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.91 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 12.5 m-85 -99.01 -68.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.36 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -121.87 142.03 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' HG11 ' A' ' 49' ' ' VAL . 2.1 ttt -108.55 127.1 53.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.6 tp -115.27 145.32 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.92 126.42 44.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.46 152.0 52.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 107.66 1.9 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.83 42.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -118.5 41.93 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -96.6 -49.24 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 116' ' ' ASP . 1.2 pt? -125.48 -37.42 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.472 ' N ' ' HG ' ' A' ' 115' ' ' LEU . 71.1 m-20 -149.69 154.05 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -85.32 87.42 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.12 127.23 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -53.59 95.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.3 mmm -109.89 150.26 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.0 157.21 43.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.32 123.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.518 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.4 tt -117.34 131.4 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -147.83 155.97 42.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.67 142.05 31.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -78.43 82.01 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.08 40.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.528 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 40' ' ' GLU . 2.6 p30 -164.93 132.97 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 19.2 p -101.75 78.03 1.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.07 151.67 84.01 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 147.74 64.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.24 25.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 133' ' ' LEU . 4.3 pp -58.61 148.61 65.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 145.83 57.86 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.54 134.87 88.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.729 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 95.16 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 58.6 m -85.51 129.39 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -175.66 143.48 6.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 143.23 50.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.0 m 47.3 43.17 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.9 m 59.17 42.4 18.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.539 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.4 p -109.24 94.41 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m 58.13 43.08 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.44 104.33 0.89 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 m 59.88 42.97 15.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' GLY . 58.2 m -108.74 94.13 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' SER . . . 34.42 42.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.98 -44.13 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.99 -46.25 88.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -63.76 -43.67 95.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.84 -31.64 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.73 -41.01 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.47 -45.21 80.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.687 HG23 HD12 ' A' ' 85' ' ' LEU . 21.4 m -64.92 -46.48 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.93 -36.23 81.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HE1' ' A' ' 52' ' ' MET . 6.6 tp -59.18 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.44 -40.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -61.31 -51.98 66.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.4 m80 -95.62 6.96 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.1 mm-40 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' HIS . 30.4 ttm180 -179.57 131.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 52' ' ' MET . 7.6 pt -146.83 159.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -112.38 121.0 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.93 161.16 30.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.75 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.647 2.231 . . . . 0.0 112.325 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.25 -31.28 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.97 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -77.23 -35.37 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.9 t -66.43 -47.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.79 -48.2 75.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.88 -46.21 79.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.86 -32.83 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 27.6 ttm-85 -60.75 -47.1 87.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.73 -42.87 99.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.13 -39.07 79.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.85 87.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.91 -49.07 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.14 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -45.46 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 89' ' ' LEU . 34.8 mm -62.47 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 6.1 t70 -56.76 -42.63 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 27.7 m-85 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.38 86.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HZ1' ' HA ' ' A' ' 61' ' ' ASP . 24.6 mtmm -54.64 -30.79 56.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.723 0.297 . . . . 0.0 110.809 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD13 HD22 ' A' ' 69' ' ' ASN . 30.4 mt -65.83 -34.18 77.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.69 176.21 19.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -82.03 39.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -115.77 -27.42 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.461 HD22 HD13 ' A' ' 65' ' ' LEU . 4.0 t-20 -81.34 127.67 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 11.0 pt-20 -63.36 -41.79 98.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 12.1 tpp85 -62.93 -44.95 94.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . . . -66.63 -46.89 74.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.435 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 9.0 mmt -61.41 -47.9 83.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 75' ' ' MET . 9.8 ptp180 -63.64 -37.05 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 14.6 mtp -65.87 -45.19 83.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.04 80.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.773 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.1 t70 -72.44 -37.79 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.21 -40.76 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -80.06 -44.88 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.61 116.55 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p -79.17 -19.87 49.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.5 mt-10 -70.81 96.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 7.9 mmmm -53.0 -24.64 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 18.4 t70 -83.2 -28.97 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.687 HD12 HG23 ' A' ' 34' ' ' THR . 20.3 mt -73.92 -29.73 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 77' ' ' ASP . 37.2 mt -57.67 -55.03 49.06 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.631 0.729 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.82 -41.48 4.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' CD ' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.79 -48.2 81.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.954 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.9 tp -61.01 -34.91 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.6 m-85 -79.85 -19.85 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -111.56 10.05 21.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG12 HD23 ' A' ' 93' ' ' LEU . 48.2 t -128.89 -73.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.954 HD12 ' CD1' ' A' ' 89' ' ' LEU . 36.6 mt -69.55 -40.35 76.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -51.85 -56.67 19.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.542 0.687 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.78 -24.83 29.15 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 7.1 tpm_? -74.91 -35.14 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.552 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 44.2 m-85 -91.78 -39.54 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.1 ttmm -34.36 -39.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.32 -47.83 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' TYR . 14.1 mt-30 -60.8 148.9 37.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.6 p -101.59 40.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.63 -174.86 19.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.92 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 -112.01 -49.5 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 125' ' ' TYR . 80.8 p -106.05 155.89 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -125.72 139.69 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.4 ttt -106.7 122.0 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.04 141.33 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -100.81 142.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 28.5 pt -140.87 152.22 64.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.4 60.47 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.278 . . . . 0.0 112.346 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.09 98.49 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -101.05 76.84 1.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.7 m -145.3 162.04 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.28 -49.48 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -96.23 111.05 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -49.28 119.85 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.796 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.07 133.71 39.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -76.22 90.26 3.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.495 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -92.74 147.9 22.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.03 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.95 132.43 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.733 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -120.5 141.23 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 7.3 mp0 -146.02 154.75 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 105' ' ' THR . 6.7 m-85 -85.02 147.63 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -68.25 79.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.81 -168.69 14.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -129.74 38.27 3.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.2 t -73.05 -51.25 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.3 mt -110.4 151.58 42.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.69 18.28 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.61 2.207 . . . . 0.0 112.425 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.11 32.06 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.19 141.45 3.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.558 0.694 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.95 10.25 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -45.38 145.05 2.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 120.78 7.5 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.3 m -67.84 -47.94 67.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.89 -166.13 11.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 170.8 15.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.617 2.211 . . . . 0.0 112.389 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.9 m -88.45 42.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.4 t -96.2 157.28 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.412 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.0 p -117.35 118.4 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -134.95 166.83 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.3 171.49 17.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -151.85 177.3 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -63.43 169.48 3.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.15 -48.38 3.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.62 -42.95 99.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 55' ' ' TYR . 10.0 tp -61.41 -46.76 88.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -60.01 -42.98 95.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.15 -31.94 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.36 -43.73 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.06 -44.44 84.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.659 HG21 ' OE2' ' A' ' 82' ' ' GLU . 11.8 m -65.08 -45.15 86.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.97 -36.8 82.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.602 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HA ' HG23 ' A' ' 42' ' ' ILE . 6.5 tp -60.31 -47.91 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.35 -40.22 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD2' ' NE2' ' A' ' 39' ' ' HIS . 46.9 ttm-85 -55.49 -52.27 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.568 ' O ' HD11 ' A' ' 130' ' ' LEU . 14.7 m-70 -104.42 13.6 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 57.4 mt-10 39.78 24.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 1.5 tmm_? -177.29 131.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.79 159.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.59 121.51 43.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 161.34 30.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.572 0.701 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.71 171.4 14.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.4 t-105 -62.27 -42.12 99.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 5.0 mmp_? -76.74 -33.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 45' ' ' PRO . 19.8 t -64.95 -53.11 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.35 -48.73 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.25 -45.6 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.479 ' SD ' HG21 ' A' ' 123' ' ' ILE . 16.3 ptm -70.77 -32.94 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.6 99.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 29' ' ' LEU . 50.6 m-85 -69.97 -38.75 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.988 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.7 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.17 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.9 -49.29 76.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.5 tppp? -59.65 -38.21 80.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 80' ' ' LEU . 62.4 tp -60.38 -47.74 84.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.13 -42.33 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 25.6 m-85 -68.06 -43.7 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.53 88.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -54.44 -29.68 50.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.75 -40.08 94.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.8 175.16 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.49 -17.63 47.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.808 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 p -82.8 23.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.826 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 2.1 t-20 -105.57 121.56 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.43 -48.33 70.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CG ' ' OD1' ' A' ' 69' ' ' ASN . 9.2 ptp180 -63.29 -42.82 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' ASN . . . -66.99 -42.1 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.6 mmt -61.26 -49.1 78.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' MET . 23.9 ptt180 -64.68 -39.74 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 7.0 tpt -67.18 -45.06 78.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.13 78.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HA ' HD11 ' A' ' 86' ' ' ILE . 14.1 t0 -72.27 -41.0 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -63.59 -44.05 95.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.5 m95 -80.63 -48.2 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.785 HD11 HD21 ' A' ' 59' ' ' LEU . 15.5 mt -98.29 114.64 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -79.01 -24.63 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.659 ' OE2' HG21 ' A' ' 34' ' ' THR . 0.2 OUTLIER -66.17 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.5 mmmm -54.76 -16.03 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.04 -34.27 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 82' ' ' GLU . 32.8 mt -74.2 -28.19 61.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.847 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.7 mt -58.66 -54.59 54.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.75 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.6 Cg_endo -69.83 -41.32 4.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -64.14 -48.43 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.995 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.8 tp -56.71 -34.44 67.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -80.97 -19.92 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.76 12.37 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 88' ' ' LYS . 55.1 t -133.18 -72.3 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.995 HD12 ' CD1' ' A' ' 89' ' ' LEU . 22.9 mt -66.37 -44.29 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -50.62 -57.16 14.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.715 . . . . 0.0 111.169 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.4 Cg_endo -69.68 -26.64 27.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -75.08 -33.09 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 44.4 m-85 -91.84 -37.38 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' TYR . 14.4 tttp -33.98 -40.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.51 -45.79 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -39.05 154.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 101' ' ' THR . 14.5 t -109.08 39.01 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.89 -176.1 16.87 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.441 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 49.18 89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.566 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -98.52 -44.56 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 0.0 110.895 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.0 p -106.09 164.7 11.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -138.58 137.66 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.574 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 2.0 ttt -105.5 133.01 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.4 tp -127.01 142.17 51.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -101.11 135.19 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.76 145.52 53.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.707 2.271 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -147.33 163.36 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.447 ' HB3' ' CB ' ' A' ' 116' ' ' ASP . 15.9 ttm180 -44.12 166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.2 t -58.06 -60.32 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -96.27 46.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' CB ' ' HB3' ' A' ' 113' ' ' ARG . 32.3 t70 -133.97 80.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -67.93 85.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.55 174.25 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -133.35 19.04 3.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.9 mtp -42.84 152.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -148.78 161.01 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.11 125.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.479 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.6 tt -117.7 132.19 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.61 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.549 ' CE1' HG22 ' A' ' 105' ' ' THR . 38.8 m-85 -78.81 132.32 36.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 126' ' ' LYS . 0.1 OUTLIER -37.82 -37.49 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.16 55.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -96.34 141.82 29.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 64.0 m -128.15 89.15 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 39' ' ' HIS . 93.1 mt -129.03 153.6 80.31 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.602 0.715 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.456 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 53.9 Cg_endo -69.75 111.67 2.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 54.2 Cg_endo -69.72 141.16 44.66 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 133' ' ' LEU . 1.8 pp -116.12 152.67 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 104.93 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 tp -115.8 116.07 40.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.79 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.2 p -98.32 -35.68 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 43.03 -155.02 0.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.52 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.394 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.8 m -130.87 121.43 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.6 p -97.6 132.33 43.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.499 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -46.51 131.59 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.8 p -167.9 143.65 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.73 -39.86 0.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -39.22 -59.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 t -130.27 152.62 49.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' SER . . . 37.94 58.93 1.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.455 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 29' ' ' LEU . 4.0 pp -67.0 -39.84 87.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.9 mt -59.87 -47.84 84.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -65.86 -35.61 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.93 -45.28 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -64.6 -48.61 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.18 87.82 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.2 tp -59.41 -46.79 87.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.06 -40.51 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -55.88 -52.13 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -102.75 11.53 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 21.7 mt-10 40.14 25.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 20.2 ttp85 -177.73 131.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.8 pt -147.28 159.46 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 37.5 tt0 -102.95 120.78 41.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.7 160.78 31.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.949 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.5 Cg_endo -69.77 171.84 13.73 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -62.36 -45.39 93.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.78 85.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.6 mmp_? -76.82 -32.86 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 45' ' ' PRO . 62.2 t -65.93 -52.72 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.44 -48.64 76.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.8 -46.04 88.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.5 ' HE1' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -70.84 -33.26 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -56.33 -48.69 76.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.48 99.25 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.777 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 47.8 m-85 -68.41 -38.28 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.41 82.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.43 -48.95 78.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -61.15 -41.39 96.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 80' ' ' LEU . 22.7 tp -56.42 -48.42 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.606 HD13 HD11 ' A' ' 89' ' ' LEU . 45.7 mm -61.57 -39.72 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -41.36 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -68.37 -41.17 80.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.551 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.6 -36.59 90.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.82 -30.28 56.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.362 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.66 -40.62 92.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.7 165.53 10.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.515 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 8.4 p-10 -81.23 -28.98 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -64.1 -28.91 70.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.47 114.93 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.7 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.65 -44.96 86.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.46 -49.19 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -57.11 -47.82 80.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -61.22 -39.06 88.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.99 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.541 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t0 -72.29 -39.49 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.32 -44.45 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.777 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.4 m95 -81.35 -47.43 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 59' ' ' LEU . 20.3 mt -102.32 129.03 48.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.1 p -87.88 -52.27 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.68 111.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 p-10 -88.42 -32.66 18.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 mt -74.38 -30.12 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.589 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 23.9 mt -58.82 -55.01 50.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.5 Cg_endo -69.85 -41.06 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.275 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.891 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.8 tp -57.55 -34.97 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.551 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 8.8 m-85 -81.32 -19.12 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.65 11.42 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 93' ' ' LEU . 23.8 t -131.1 -73.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.891 HD12 ' CD1' ' A' ' 89' ' ' LEU . 54.2 mt -72.6 -43.89 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.89 -56.42 11.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.135 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.3 Cg_endo -69.81 -35.08 13.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.293 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -62.46 -43.71 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 59.4 m-85 -86.21 -37.53 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -34.14 -41.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.38 -45.24 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 97' ' ' TYR . 18.7 mt-30 -49.28 171.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 101' ' ' THR . 9.5 m -118.54 41.22 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.77 -170.71 13.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 56.95 89.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 6.3 m-85 -105.81 -47.28 3.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.013 0.435 . . . . 0.0 110.978 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -111.59 151.03 29.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.9 tpp85 -121.68 136.38 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.547 ' HE3' HG11 ' A' ' 49' ' ' VAL . 5.7 ttt -106.45 120.33 41.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.0 tp -115.84 146.49 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -104.59 138.35 41.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 122' ' ' VAL . 29.8 pt -136.39 146.84 57.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.4 2.89 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -144.43 173.72 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -60.78 136.76 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.4 t -55.24 -50.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.94 -63.91 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.46 86.49 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -72.89 118.07 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -160.51 166.52 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.57 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 84.3 mmm -120.22 149.8 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -143.1 160.98 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 110' ' ' ILE . 88.8 t -114.87 129.31 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.468 HG21 ' SD ' ' A' ' 52' ' ' MET . 20.0 tt -116.69 131.67 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -148.73 147.9 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.2 152.48 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -80.27 82.55 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.11 80.23 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -170.16 135.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.07 33.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.7 153.85 69.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.42 53.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.427 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 139.21 39.84 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.749 2.299 . . . . 0.0 112.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.15 143.61 57.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 110.973 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 113.0 3.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.43 153.06 95.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 137.36 35.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 m 61.19 43.46 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -139.71 176.96 20.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.05 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -168.8 140.96 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 81.0 p -118.77 152.16 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.459 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.6 p -113.02 -37.76 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -125.18 -62.88 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.44 -141.54 3.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -75.38 94.8 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.5 p -84.28 -43.76 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.22 46.8 1.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt -77.01 -40.37 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HG2' ' A' ' 51' ' ' GLU . 4.3 mm? -63.44 -48.54 77.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.12 -33.9 76.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.24 -45.71 59.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.76 -44.52 90.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.969 HG23 HD12 ' A' ' 85' ' ' LEU . 91.4 m -64.37 -45.28 88.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.81 83.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.439 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 52' ' ' MET . 10.6 tp -59.86 -48.25 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.64 -40.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.43 -52.33 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -104.77 14.06 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 63.4 mt-10 39.49 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 38.0 ttm180 -177.76 131.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.0 pt -146.79 159.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.83 119.62 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.37 31.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.1 Cg_endo -69.75 167.19 25.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -57.12 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.9 97.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -76.5 -36.52 57.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 107' ' ' MET . 27.0 t -63.07 -50.71 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.33 -47.27 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 29' ' ' LEU . 3.3 tp10 -62.05 -46.09 90.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.726 ' SD ' HD13 ' A' ' 123' ' ' ILE . 1.8 ppp? -70.97 -33.02 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 52' ' ' MET . 27.1 mtm180 -57.56 -50.12 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -43.73 98.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE1' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 m-85 -67.22 -38.84 85.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.82 98.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.05 -49.07 77.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.46 -44.41 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.811 HD21 HD11 ' A' ' 80' ' ' LEU . 30.6 tp -54.63 -46.55 73.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.58 HD13 HD11 ' A' ' 89' ' ' LEU . 36.5 mm -62.51 -38.66 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.85 -44.62 82.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 53.5 m-85 -69.14 -39.32 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.02 -35.67 87.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 38.9 mttp -54.51 -30.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.63 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.07 175.9 25.51 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.78 39.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -109.24 -38.36 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.1 114.78 19.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.2 pt-20 -53.87 -48.36 70.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -56.99 -42.71 80.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.11 83.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.677 ' HE2' ' CZ ' ' A' ' 90' ' ' PHE . 16.0 mmt -66.92 -40.02 87.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 22.9 mmm-85 -55.79 -51.21 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -60.78 -45.59 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.34 96.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.753 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.8 t0 -72.27 -36.43 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.91 -45.05 87.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.584 ' CZ2' ' CE1' ' A' ' 55' ' ' TYR . 97.2 m95 -81.96 -47.46 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HD21 ' A' ' 59' ' ' LEU . 47.3 mt -96.45 98.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -64.58 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -53.3 106.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.2 mmtp -59.36 -26.29 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -82.21 -27.44 32.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 34' ' ' THR . 17.2 mt -74.26 -33.24 63.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 77' ' ' ASP . 31.5 mt -54.85 -54.64 47.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.57 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -60.27 -48.22 82.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.889 ' CD1' HD12 ' A' ' 93' ' ' LEU . 7.8 tp -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CZ ' ' HE2' ' A' ' 73' ' ' MET . 8.5 m-85 -80.95 -19.18 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -111.11 9.91 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 ' HE3' ' A' ' 88' ' ' LYS . 39.1 t -129.19 -74.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.889 HD12 ' CD1' ' A' ' 89' ' ' LEU . 43.7 mt -69.9 -40.89 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.705 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -49.93 -57.06 13.64 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.78 -29.74 23.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -66.84 -42.15 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.427 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 88.1 m-85 -106.58 38.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -45.86 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 100' ' ' GLN . 19.0 t70 -86.92 -43.85 12.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 99' ' ' ASP . 4.7 mm100 -34.27 140.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 p -120.07 39.81 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.06 158.44 8.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.76 85.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.25 -42.28 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.9 p -105.98 159.31 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.03 138.59 52.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.466 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 2.2 ttt -108.05 128.26 54.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.5 tp -125.3 144.66 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -102.94 128.42 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.1 pt -121.13 142.31 34.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -169.0 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -73.32 156.08 38.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -131.96 -46.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -118.29 -56.32 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 115' ' ' LEU . 1.3 pt? -98.86 147.94 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 117' ' ' ARG . 4.2 p-10 -38.02 157.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.8 ptp180 -34.13 142.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -167.96 176.23 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -68.06 98.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -142.94 136.24 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.879 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.71 160.27 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.59 133.41 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.726 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.6 tt -118.66 138.2 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.62 149.04 29.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -75.93 137.57 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -37.34 -54.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.28 61.49 4.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -75.73 -51.63 12.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 74.5 m 57.4 40.18 27.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.4 mt -101.55 154.07 37.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.19 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.99 18.6 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -109.13 142.94 26.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 107.24 1.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.7 mt -81.09 140.25 49.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.79 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.9 t -80.92 47.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -44.67 116.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -2.74 10.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.278 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 141' ' ' SER . 46.4 m 62.39 45.95 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 140' ' ' SER . 89.4 p 34.45 43.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.439 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 72.33 41.93 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 132.95 55.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.07 164.35 14.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -163.33 -175.66 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 m -54.77 -175.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.87 33.9 2.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.7 -35.09 70.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 110.911 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 1.4 tt -67.06 -47.09 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -59.85 -39.49 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.2 mt -63.95 -42.45 97.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.16 -45.16 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 m -66.43 -46.63 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.06 -36.46 90.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLU . 17.4 tp -60.23 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.64 -40.44 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -56.96 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.7 m-70 -101.54 10.76 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.2 mt-10 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 3.4 tmm_? -178.08 131.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.453 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.1 pt -146.98 159.46 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' HE2' ' A' ' 120' ' ' MET . 28.2 tt0 -103.84 121.05 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.17 158.18 34.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 166.2 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.411 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.631 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 5.8 t-105 -55.83 -41.97 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.23 91.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -76.48 -38.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.667 HG11 ' HE2' ' A' ' 107' ' ' MET . 39.1 t -60.66 -53.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.92 -48.05 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.26 -46.83 87.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.57 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.5 ppp? -70.84 -32.57 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' MET . 45.0 ttt180 -56.54 -43.97 80.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.12 98.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.557 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.0 m-85 -71.12 -41.82 70.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.936 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.2 99.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.19 -49.34 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 11.1 tptm -60.85 -42.74 98.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 80' ' ' LEU . 31.0 tp -55.23 -49.3 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.442 HD13 HD11 ' A' ' 89' ' ' LEU . 30.6 mm -60.74 -38.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.24 -44.19 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 51.2 m-85 -71.19 -39.92 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.69 -37.99 93.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -54.83 -30.41 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.7 -34.02 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.08 171.03 20.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -80.34 42.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -107.93 -39.98 5.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -82.01 130.56 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -62.45 -37.37 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 22.0 ttm180 -58.63 -43.94 89.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.22 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.1 mmt -62.88 -49.85 73.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 75' ' ' MET . 7.2 ptm180 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 31.8 mmm -63.85 -45.15 90.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.92 76.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.8 t70 -71.72 -34.58 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -76.65 -42.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 72.6 m95 -80.72 -48.65 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 59' ' ' LEU . 25.5 mt -101.04 114.57 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -75.56 -30.34 59.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -59.56 97.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 86' ' ' ILE . 16.7 mmtm -56.38 -20.62 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.46 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 7.6 t70 -86.06 -35.94 19.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' HG3' ' A' ' 82' ' ' GLU . 28.0 mt -73.28 -25.47 60.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 50.8 mt -60.2 -55.25 47.22 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.4 Cg_endo -69.78 -41.5 4.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 14.3 ttpt -60.62 -47.14 87.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 93' ' ' LEU . 14.2 tp -57.58 -35.35 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.48 -19.82 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -111.66 9.96 21.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 93' ' ' LEU . 15.9 t -128.66 -73.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 89' ' ' LEU . 40.2 mt -72.37 -42.63 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.9 -56.84 11.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.5 Cg_endo -69.67 -41.05 4.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -56.58 -44.65 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 36.1 m-85 -85.47 -37.87 19.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.9 -39.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.89 -49.16 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -53.83 169.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 101' ' ' THR . 19.1 m -111.96 42.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 104' ' ' TYR . . . 117.77 -157.8 14.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 49.69 87.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 -112.95 -46.71 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.375 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.7 p -105.84 156.28 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -130.3 137.72 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.667 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.4 ttt -109.63 136.77 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 tp -130.35 142.85 50.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -91.74 138.97 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 122' ' ' VAL . 29.1 pt -144.45 151.84 51.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.81 55.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -66.71 130.62 43.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -128.05 -62.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.2 m -50.91 -46.69 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.8 tp -125.57 161.01 28.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -107.3 99.26 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.6 110.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -65.04 87.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.536 ' HE2' ' HG2' ' A' ' 43' ' ' GLU . 22.2 mtp -78.31 156.56 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.15 161.11 43.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 110' ' ' ILE . 71.9 t -122.23 137.31 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.57 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.8 tt -126.86 132.67 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.76 146.02 26.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -72.18 152.47 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.97 80.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.41 -114.62 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -54.82 155.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 78.0 m -119.98 98.24 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -67.0 152.83 95.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 54.2 Cg_endo -69.68 117.12 4.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 53.6 Cg_endo -69.74 131.96 22.36 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 pp -89.63 152.4 47.0 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.726 0.774 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.56 5.75 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.699 ' O ' HD12 ' A' ' 135' ' ' LEU . 3.7 pp -59.36 137.2 88.89 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -39.27 6.77 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.38 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.682 ' O ' HD13 ' A' ' 135' ' ' LEU . 8.5 t -89.54 98.02 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -139.41 -169.23 11.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.423 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.97 29.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 66.1 p -142.64 112.11 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -45.9 -53.78 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -116.01 172.76 6.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.6 m -44.39 151.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.45 104.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.547 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.17 83.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -106.06 40.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.45 ' O ' ' ND2' ' A' ' 31' ' ' ASN . . . 179.14 61.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.35 -38.56 50.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD21 ' CD2' ' A' ' 55' ' ' TYR . 15.0 tp -65.33 -48.04 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 27' ' ' GLY . 14.3 m-80 -64.94 -35.73 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 35.5 mt -69.49 -44.57 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.1 -44.66 87.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -64.33 -42.25 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.86 81.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.745 ' HA ' HG23 ' A' ' 42' ' ' ILE . 8.0 tp -61.31 -46.06 91.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.05 -40.77 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -59.37 -52.28 66.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 6.2 m80 -99.9 12.71 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' LEU . 45.3 mt-10 39.68 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 1.048 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 64.0 ttt-85 -176.92 131.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 36' ' ' LEU . 28.8 pt -144.97 159.06 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -100.97 118.79 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.47 154.26 33.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.686 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.8 Cg_endo -69.68 174.3 9.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -62.76 -46.07 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.62 81.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -76.83 -34.6 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 45' ' ' PRO . 49.2 t -62.62 -53.27 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.84 -48.56 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.61 -46.35 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.409 ' HE1' HD11 ' A' ' 42' ' ' ILE . 12.4 ptm -70.46 -34.41 72.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -56.18 -43.26 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.46 -43.36 99.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.763 ' CD2' HD21 ' A' ' 29' ' ' LEU . 54.9 m-85 -71.64 -42.38 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.99 92.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.63 -49.06 72.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -62.07 -39.4 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD11 ' A' ' 80' ' ' LEU . 26.5 tp -58.12 -49.19 77.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 89' ' ' LEU . 30.5 mm -61.12 -39.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -56.66 -45.03 81.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 35.0 m-85 -66.89 -38.43 86.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.84 -35.26 86.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -53.98 -30.64 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -65.74 -32.05 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.49 178.25 21.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.5 38.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -111.71 -36.26 5.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -74.14 118.39 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.7 mt-10 -56.24 -47.6 78.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -57.18 -43.95 83.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.18 86.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.1 -49.59 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 74' ' ' ARG . 8.7 mtp-105 -60.76 -47.12 87.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.52 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -58.38 -45.48 88.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.84 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.657 ' HA ' HD11 ' A' ' 86' ' ' ILE . 21.8 t0 -72.49 -33.87 67.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.96 -43.82 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 89.9 m95 -80.71 -48.13 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HD21 ' A' ' 59' ' ' LEU . 32.7 mt -102.14 103.91 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 72.9 p -71.07 -36.01 72.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 111.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 2.0 mmmm -67.51 -14.95 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 5.3 m-20 -88.7 -34.68 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.6 mt -57.9 -54.29 56.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.719 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.5 Cg_endo -69.65 -41.39 4.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.418 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CG ' HG21 ' A' ' 92' ' ' VAL . 13.0 tttp -62.7 -46.58 87.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.77 HD13 HD12 ' A' ' 93' ' ' LEU . 13.4 tp -55.21 -34.29 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.7 m-85 -81.3 -20.19 41.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.62 12.44 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 HD23 ' A' ' 93' ' ' LEU . 69.8 t -132.54 -73.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD12 HD13 ' A' ' 89' ' ' LEU . 23.6 mt -73.08 -42.24 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.14 -55.78 16.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.501 0.667 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.69 -26.77 27.55 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.653 2.236 . . . . 0.0 112.406 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.29 -46.86 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -102.08 38.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -49.06 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -77.11 -47.05 21.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -45.4 159.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 101' ' ' THR . 18.8 m -131.6 38.72 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.28 -175.89 25.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 47.0 85.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -115.31 -38.71 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.2 p -108.55 156.69 19.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -119.75 139.5 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.771 ' HE3' HG11 ' A' ' 49' ' ' VAL . 4.6 ttt -107.01 126.1 51.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.07 143.24 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.19 142.63 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.491 HD13 HG23 ' A' ' 122' ' ' VAL . 42.8 pt -146.23 151.41 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.84 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.56 124.01 20.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.71 -60.56 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -73.33 178.33 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.9 44.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.68 176.58 10.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -90.94 124.67 35.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -168.26 144.54 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.73 102.17 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 88.8 mmm -110.08 155.72 21.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.582 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.31 157.54 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 1.048 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 88.1 t -116.81 130.68 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 36' ' ' LEU . 15.2 tt -117.5 135.24 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.679 ' OE1' HD12 ' A' ' 130' ' ' LEU . 6.9 pt-20 -150.75 150.19 30.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -75.6 138.76 41.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -84.32 83.75 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.11 -42.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -133.6 142.34 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 35.9 m -73.89 82.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.679 HD12 ' OE1' ' A' ' 124' ' ' GLU . 46.3 mt -51.24 154.32 2.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.642 0.734 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.284 . . . . 0.0 112.326 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 116.97 4.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 133' ' ' LEU . 3.2 pp -86.87 150.86 51.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 105.0 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.762 2.308 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 136' ' ' PRO . 1.3 tp -72.62 -60.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.484 ' N ' ' HG ' ' A' ' 135' ' ' LEU . 54.0 Cg_endo -69.71 155.42 66.15 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.8 t -78.82 144.16 35.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.22 -177.61 21.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 136.59 33.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.8 p -88.62 -39.06 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.5 m 57.17 44.8 21.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -90.43 42.22 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -163.48 120.15 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 47.49 55.89 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.5 m -139.2 161.23 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -48.79 122.16 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.96 95.39 0.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.01 -46.5 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -46.96 88.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -59.71 -40.27 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -67.54 -36.89 81.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.54 -41.49 98.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.16 -44.76 83.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.788 HG23 HD12 ' A' ' 85' ' ' LEU . 20.4 m -65.71 -42.65 90.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.79 81.39 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -62.46 -46.44 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.84 -40.64 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.0 -52.29 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.6 m-70 -104.03 14.61 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.7 pt-20 39.71 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.4 ttt-85 -176.93 131.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.39 159.32 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.9 122.71 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.8 161.76 29.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.985 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.6 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -60.93 -45.93 92.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.44 79.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 17.0 mmp_? -76.48 -36.45 57.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.8 t -62.29 -53.55 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.42 -49.21 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -46.22 86.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 ptm -71.53 -33.14 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -54.85 -46.6 74.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.9 98.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 38.8 m-85 -68.26 -41.18 81.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.04 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.01 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -61.32 -42.04 98.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 HD11 ' A' ' 80' ' ' LEU . 36.8 tp -57.31 -46.32 83.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.51 -40.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -57.57 -43.73 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 41.2 m-85 -71.32 -38.94 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.14 -41.32 96.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 6.5 mtpm? -54.86 -30.12 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.63 169.02 20.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.47 40.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.4 p -112.35 -37.01 5.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -76.29 121.83 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.9 pt-20 -54.26 -46.93 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -57.02 -42.91 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.28 -44.17 88.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.84 -38.74 86.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 1.5 mmp_? -58.4 -49.88 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmm -61.62 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.25 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.7 t70 -72.1 -37.86 69.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -73.54 -43.94 58.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 14.6 m95 -78.46 -46.54 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HD22 ' A' ' 89' ' ' LEU . 25.4 mt -107.72 119.75 40.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -80.83 -37.21 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -54.07 110.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.7 mmtt -62.35 -26.57 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 75.1 m-20 -81.87 -29.73 32.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.788 HD12 HG23 ' A' ' 34' ' ' THR . 18.7 mt -73.31 -33.22 65.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.2 mt -54.14 -55.43 36.74 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.73 -41.01 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.282 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -60.89 -45.31 95.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -61.29 -34.5 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.9 m-85 -79.99 -18.99 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -111.17 8.66 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 88' ' ' LYS . 36.2 t -128.72 -71.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.827 HD12 ' CD1' ' A' ' 89' ' ' LEU . 46.0 mt -72.82 -45.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.17 -56.24 9.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.73 -22.93 31.5 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.746 2.298 . . . . 0.0 112.321 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -73.93 -47.9 34.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 87.3 m-85 -91.34 30.81 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -52.55 49.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.76 -49.71 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.16 130.93 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.4 p -134.87 47.58 2.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.08 -40.15 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -118.05 89.35 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 11.0 m-85 -94.72 -45.73 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.0 p -107.97 162.76 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -121.82 142.0 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 ttt -103.96 120.07 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 tp -112.19 142.4 44.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -102.13 125.81 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.47 151.64 70.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 111.179 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 173.84 10.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -69.14 143.34 54.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' SER . 6.0 tpt85 -69.63 159.36 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' ARG . 25.8 m -34.26 -48.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.9 177.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.36 157.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -50.82 151.31 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -174.93 148.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -80.05 98.66 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.49 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -112.57 153.84 26.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.589 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.01 161.11 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.45 135.98 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.58 HG23 HD13 ' A' ' 36' ' ' LEU . 15.3 tt -114.73 130.02 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -127.53 145.31 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 105' ' ' THR . 3.3 m-85 -85.11 129.94 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -62.74 79.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -134.74 -48.87 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.6 172.63 16.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 48.3 t -105.51 92.86 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.6 mt -49.62 156.05 1.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 118.78 5.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 156.34 63.52 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.2 pt? -112.54 152.3 44.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 105.13 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.865 ' C ' HD22 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -57.23 148.55 51.96 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.623 ' N ' HD22 ' A' ' 135' ' ' LEU . 53.5 Cg_endo -69.68 109.07 2.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' PRO . 99.3 p -37.64 156.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -178.99 -149.05 8.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.26 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.8 m -99.24 -60.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.4 p 51.34 42.1 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.0 p -155.05 163.11 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.4 t -122.07 85.22 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.69 -96.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.2 p -75.37 137.68 41.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.878 0.37 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -46.42 107.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.38 74.6 0.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -48.29 33.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 55' ' ' TYR . 12.6 mt -59.27 -37.49 77.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -62.58 -40.66 97.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -68.58 -33.81 74.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.3 -45.94 85.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.47 -44.38 91.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.761 HG23 HD12 ' A' ' 85' ' ' LEU . 11.1 m -65.49 -46.51 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.63 80.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD22 ' CE ' ' A' ' 52' ' ' MET . 7.7 tp -59.76 -47.69 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.36 -40.79 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -56.71 -52.16 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -101.68 11.63 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mt-10 40.0 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HE ' HG11 ' A' ' 122' ' ' VAL . 48.2 ttt180 -176.61 131.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.4 pt -147.23 159.26 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.78 121.88 45.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.67 161.1 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.65 161.87 44.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 3.1 t-105 -52.22 -47.09 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -40.68 76.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 81.1 mmt-85 -75.99 -32.85 59.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 121' ' ' ALA . 51.9 t -67.3 -49.25 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.97 -47.49 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -62.26 -46.89 86.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.765 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.8 ppp? -71.23 -32.85 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -57.8 -47.23 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.94 -43.26 99.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.1 m-85 -68.5 -41.6 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.3 -49.28 76.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.16 -39.96 92.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -57.71 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 ' CD1' HD11 ' A' ' 89' ' ' LEU . 37.8 mm -59.63 -40.79 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -56.9 -42.38 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 56.0 m-85 -66.49 -43.43 85.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.42 -35.16 88.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -54.0 -30.19 46.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.24 -30.68 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.9 167.74 19.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.09 41.41 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -115.76 -36.18 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.66 116.7 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.06 -38.67 70.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -57.24 -42.17 80.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.7 mmm -60.97 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -62.4 -47.95 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.41 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 7.4 tpt -59.94 -45.13 93.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.06 74.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.701 ' HA ' HD11 ' A' ' 86' ' ' ILE . 45.9 t0 -71.85 -37.01 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -67.49 -41.3 84.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.727 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.8 m95 -80.74 -47.76 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 59' ' ' LEU . 25.8 mt -95.48 111.76 23.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.0 p -87.15 33.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.43 106.73 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 19.7 mmtp -58.49 -18.36 28.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 20.3 t70 -89.05 -32.07 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.761 HD12 HG23 ' A' ' 34' ' ' THR . 19.3 mt -74.84 -30.96 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.701 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.6 mt -59.3 -54.15 59.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.74 -41.17 4.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.29 . . . . 0.0 112.341 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' VAL . 53.2 tttt -64.58 -48.14 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.789 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.7 tp -57.83 -34.87 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.6 m-85 -81.21 -21.06 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -111.88 13.95 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' LYS . 51.0 t -132.88 -73.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.789 HD12 ' CD1' ' A' ' 89' ' ' LEU . 44.8 mt -74.1 -43.26 58.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.33 -56.55 10.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.78 -38.7 7.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -60.26 -36.96 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 25.8 m-85 -90.34 -38.92 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 32.2 tttm -34.04 -44.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -75.61 -45.91 34.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' TYR . 31.4 mt-30 -59.4 145.43 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 101' ' ' THR . 13.8 t -93.78 38.66 1.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.524 ' HA2' ' CE1' ' A' ' 104' ' ' TYR . . . 126.93 -167.51 19.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 56.14 89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -116.33 -46.59 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.481 HG22 ' CE1' ' A' ' 125' ' ' TYR . 65.5 p -106.31 161.66 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -135.09 134.34 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.587 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 9.4 ttt -103.96 125.15 50.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.97 141.3 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -98.24 135.31 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt -139.55 151.65 67.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.737 0.779 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 162.4 42.17 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.2 115.58 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 16.0 mtp-105 -77.64 -53.98 6.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 t -58.34 165.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.68 -59.93 3.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -63.4 124.73 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -40.38 107.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.88 108.79 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -66.79 105.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.3 mtp -108.54 154.22 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.621 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -140.75 160.81 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.504 HG11 ' HE ' ' A' ' 41' ' ' ARG . 84.0 t -122.71 131.74 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.765 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -122.0 138.83 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 150.26 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.481 ' CE1' HG22 ' A' ' 105' ' ' THR . 14.3 m-85 -79.06 126.75 31.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -79.1 46.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.71 -56.14 1.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -123.78 175.06 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 130' ' ' LEU . 34.1 m -92.46 86.08 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 129' ' ' CYS . 53.7 mt -36.41 144.91 0.25 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 111.31 2.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 109.18 2.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.52 157.28 88.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.27 53.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 118.81 58.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.9 t -129.23 82.96 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.11 -123.33 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.78 13.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.8 t 64.36 43.86 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -81.64 156.88 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 p -137.11 151.84 49.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 t -60.31 -58.96 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.55 80.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m 45.63 46.09 11.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' GLY . 7.9 t -118.8 172.96 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.802 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -35.51 116.37 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 64.6 mt -64.81 -45.85 84.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -38.91 79.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -59.78 -41.36 90.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -68.14 -37.39 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' A' ' 48' ' ' ARG . 14.5 mt -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.461 HD12 ' CE3' ' A' ' 79' ' ' TRP . 77.6 mt -66.12 -44.02 85.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 85' ' ' LEU . 55.8 m -63.32 -48.24 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -36.69 77.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.4 tp -59.78 -48.5 81.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.693 ' CG1' HD22 ' A' ' 85' ' ' LEU . 87.9 t -67.07 -40.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -52.11 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' ARG . 9.1 m80 -102.89 12.29 36.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' LEU . 5.0 pt-20 39.92 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.7 ttt180 -176.33 131.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.499 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.4 pt -146.61 159.14 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HG3' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -105.42 119.91 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.14 161.26 30.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.691 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.884 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.6 Cg_endo -69.79 167.84 23.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.4 t-105 -59.61 -43.7 93.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.76 97.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 24.9 mmm180 -76.29 -31.29 58.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 45' ' ' PRO . 74.3 t -70.21 -47.02 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.75 -48.17 78.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.621 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.2 ppp? -70.93 -33.74 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 52' ' ' MET . 47.4 ttt180 -57.29 -46.78 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.21 99.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.473 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 48.3 m-85 -68.91 -39.5 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.96 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.18 -49.09 77.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -59.32 -42.58 91.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.23 -45.14 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 ' HZ2' ' A' ' 64' ' ' LYS . 36.1 mm -61.06 -42.1 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -57.02 -44.44 82.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -66.77 -39.29 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.94 -36.31 89.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HZ2' HG22 ' A' ' 60' ' ' ILE . 43.0 mttp -54.77 -30.73 57.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.69 -35.83 81.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.37 160.0 11.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.78 43.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -112.92 -38.21 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -76.78 135.03 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.94 -33.75 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -66.44 -44.68 82.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.82 88.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 14.7 mmt -70.28 -49.15 52.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -63.1 -41.05 99.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.35 -42.75 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.9 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.686 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.5 t70 -71.82 -34.81 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -69.67 -42.49 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.473 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 65.9 m95 -80.86 -48.23 12.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.52 HD11 HD22 ' A' ' 89' ' ' LEU . 94.4 mt -98.37 120.42 38.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -86.06 -39.42 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.68 103.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.6 mmtp -53.84 -14.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.3 t0 -87.86 -32.56 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.767 HD12 HG23 ' A' ' 34' ' ' THR . 29.9 mt -74.4 -31.48 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.4 mt -58.0 -54.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.67 -41.62 4.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.671 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.3 tttt -63.79 -47.54 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.2 tp -54.82 -34.46 62.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -80.71 -23.56 39.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -112.11 16.74 20.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 88' ' ' LYS . 23.1 t -129.64 -69.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 89' ' ' LEU . 42.5 mt -80.01 -40.43 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.31 -56.46 10.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.533 0.682 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.8 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -42.12 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.6 m-85 -110.16 41.11 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -79.17 -46.58 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.88 -44.95 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.84 113.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 101' ' ' THR . 7.1 m -85.39 43.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.75 156.98 6.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.33 76.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -112.8 -43.69 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.3 p -108.78 152.79 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -133.18 141.02 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE1' ' CD2' ' A' ' 46' ' ' TRP . 1.6 ttt -111.87 130.1 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 tp -119.48 141.37 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.63 137.97 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.7 pt -126.7 150.93 72.55 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 171.8 13.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -108.34 144.17 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -65.95 -51.34 59.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 m -88.83 178.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.8 mt -52.74 -55.96 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.19 89.08 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 8.5 tpt180 -98.51 153.19 18.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 117' ' ' ARG . . . -40.26 157.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 78.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 78.9 mmm -81.12 151.97 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.06 160.33 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 43' ' ' GLU . 83.2 t -119.13 131.35 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.621 HD13 ' SD ' ' A' ' 52' ' ' MET . 16.9 tt -118.47 137.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -151.06 151.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 15.9 m-85 -78.27 145.51 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -71.03 80.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -152.17 -92.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -81.1 178.92 8.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.08 111.71 12.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.457 HD11 ' HG3' ' A' ' 40' ' ' GLU . 52.8 mt -96.11 151.17 38.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.575 0.703 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 137.76 35.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 162.94 40.15 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -62.9 154.48 76.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.46 40.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.414 ' CD1' ' HD2' ' A' ' 136' ' ' PRO . 4.5 mm? -60.16 152.25 63.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.83 171.16 15.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.1 t -117.08 -50.13 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 133.87 -120.06 2.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 90.05 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 57.9 m -149.54 120.97 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 62.1 m -44.22 -49.5 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.452 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -133.33 111.96 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -169.93 152.89 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.37 71.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t 49.83 48.01 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -111.71 -51.99 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.06 49.31 0.27 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.547 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.843 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.38 -48.26 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.951 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 55' ' ' TYR . 15.3 mt -59.02 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -64.24 -42.66 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.07 -32.52 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 48' ' ' ARG . 29.9 mt -68.98 -41.41 77.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.05 -44.89 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.044 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 85' ' ' LEU . 17.5 m -66.92 -48.11 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.24 78.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.722 HD22 ' CE ' ' A' ' 52' ' ' MET . 11.2 tp -59.5 -48.31 82.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.43 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -57.96 -52.21 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.2 m-70 -99.93 9.63 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 37.4 mt-10 39.67 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.3 ttp85 -177.48 131.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.713 HD12 HD22 ' A' ' 32' ' ' LEU . 10.9 pt -146.83 159.16 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.41 118.9 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 159.27 33.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.8 169.91 17.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.1 t-105 -62.04 -33.24 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -43.44 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.7 tpp180 -76.69 -36.43 57.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG11 ' CE ' ' A' ' 107' ' ' MET . 7.6 t -63.31 -52.53 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.14 -48.86 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.0 -45.96 86.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.722 ' CE ' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -71.16 -33.53 70.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -55.5 -45.52 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.59 -43.26 99.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.721 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 61.3 m-85 -68.89 -44.25 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' ' OH ' ' A' ' 125' ' ' TYR . . . -62.33 -41.49 98.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.85 -49.08 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.13 -39.12 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 80' ' ' LEU . 12.7 tp -61.19 -44.74 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.528 HD13 HD11 ' A' ' 89' ' ' LEU . 35.7 mm -61.98 -42.02 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.32 -42.76 92.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 24.6 m-85 -63.59 -45.76 88.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.99 -35.56 87.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -54.68 -30.9 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.93 -34.55 78.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.87 176.53 21.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.15 40.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 -35.86 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -82.4 117.96 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -55.41 -40.76 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.89 -38.88 87.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.89 86.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.59 -49.07 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 75' ' ' MET . 1.6 ppt_? -67.45 -38.41 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.466 ' N ' ' HD2' ' A' ' 74' ' ' ARG . 8.5 tpt -63.0 -44.63 95.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.25 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.6 t0 -72.11 -37.94 69.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.36 -43.92 89.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.721 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.2 m95 -80.8 -47.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.733 HD11 HD21 ' A' ' 59' ' ' LEU . 29.7 mt -100.32 111.97 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.5 p -75.37 -35.72 61.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.4 mm-40 -53.94 108.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 25.0 mmtp -62.99 -20.47 65.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 4.1 p-10 -88.38 -27.93 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 34' ' ' THR . 17.9 mt -75.24 -33.64 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 77' ' ' ASP . 35.5 mt -57.8 -53.02 70.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.84 -41.24 4.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -64.19 -43.46 95.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 93' ' ' LEU . 13.3 tp -59.64 -34.82 73.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -80.05 -20.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.86 10.49 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.0 t -129.64 -73.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.987 HD12 HD13 ' A' ' 89' ' ' LEU . 31.1 mt -72.45 -41.67 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.78 -56.15 16.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.569 0.7 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.2 Cg_endo -69.79 -41.0 4.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.63 2.22 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -59.68 -38.48 81.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 43.7 m-85 -88.48 -30.93 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -33.96 -49.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.06 -47.68 35.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -38.56 143.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 101' ' ' THR . 13.7 t -102.69 38.66 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.71 -173.05 15.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.461 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.8 89.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.45 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 5.6 m-85 -100.62 -42.68 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.1 p -105.89 162.95 13.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -142.57 141.38 31.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.49 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 5.0 ttm -108.5 143.55 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.722 ' CD2' HD23 ' A' ' 133' ' ' LEU . 20.9 tp -130.35 133.07 46.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -84.99 136.78 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt -137.15 150.92 70.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 114.91 3.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.26 41.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 -110.71 44.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -87.77 -54.47 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.49 -32.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -148.79 166.65 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 2.9 mpt_? -90.72 93.76 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.32 20.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -51.15 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.5 mmm -111.74 152.24 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.98 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.04 123.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.7 tt -114.49 137.17 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 105' ' ' THR . 23.1 m-85 -84.66 119.4 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 125' ' ' TYR . 11.9 ptmm? 34.36 36.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -39.42 115.14 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -134.43 -52.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' LEU . 1.8 m -79.62 -48.02 14.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 129' ' ' CYS . 37.7 mt -34.84 142.4 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.64 57.58 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.256 . . . . 0.0 112.307 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.86 18.3 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.627 2.218 . . . . 0.0 112.37 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.722 HD23 ' CD2' ' A' ' 108' ' ' LEU . 3.9 mm? -37.64 139.3 0.58 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.664 0.745 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 162.26 42.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.887 HD12 ' HD2' ' A' ' 136' ' ' PRO . 7.7 tp -109.62 125.32 31.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.887 ' HD2' HD12 ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.79 173.93 10.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.608 2.206 . . . . 0.0 112.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.4 p -150.7 159.24 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -93.42 -160.51 35.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -37.51 9.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.3 m -155.11 118.91 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.3 p -61.57 100.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.4 tm? . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.99 -40.15 88.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -61.29 -42.89 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -65.87 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.25 -44.47 88.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 55.5 mt -63.24 -44.1 96.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.751 HG23 HD12 ' A' ' 85' ' ' LEU . 30.6 m -66.05 -43.61 86.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.46 84.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -61.64 -48.2 81.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.31 -41.17 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -55.88 -51.93 65.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.1 m-70 -103.08 12.85 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' LEU . 70.6 mt-10 40.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -175.97 131.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 36' ' ' LEU . 29.0 pt -145.8 159.13 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.543 ' OE2' HD11 ' A' ' 110' ' ' ILE . 3.6 tm-20 -109.26 120.79 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.58 161.08 31.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.551 0.691 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.888 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.1 Cg_endo -69.83 173.88 10.39 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -61.45 -47.58 85.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.5 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.18 -37.51 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.1 t -65.14 -47.35 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.33 -48.66 74.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.96 -46.04 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.3 ppp? -70.44 -32.96 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 64.6 ttt180 -61.8 -44.8 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.25 99.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.747 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.2 m-85 -71.97 -43.81 64.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 110.916 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.37 95.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.24 -48.98 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 19.1 tptt -60.62 -39.25 87.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 80' ' ' LEU . 26.8 tp -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.598 HD13 HD11 ' A' ' 89' ' ' LEU . 41.1 mm -62.08 -42.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.17 -43.47 82.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 32.4 m-85 -69.09 -39.8 78.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -35.92 88.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.95 -30.77 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.02 -33.52 75.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.05 172.67 19.1 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -80.87 41.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -111.28 -30.5 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -86.46 131.96 34.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.88 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -60.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.48 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.0 mmt -66.22 -49.17 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -62.89 -36.89 84.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 10.5 mtp -65.97 -45.01 83.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.7 83.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.699 ' HA ' HD11 ' A' ' 86' ' ' ILE . 36.1 t0 -72.06 -36.97 69.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -72.84 -43.72 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.747 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.9 m95 -80.21 -48.1 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.658 HD11 HD21 ' A' ' 59' ' ' LEU . 14.7 mt -104.68 124.31 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.5 p -83.83 -45.66 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -41.7 102.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtm -58.07 -19.37 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 15.4 t70 -89.23 -31.01 18.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 34' ' ' THR . 19.9 mt -75.02 -29.81 60.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.4 mt -59.88 -53.94 60.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.092 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.8 -41.17 4.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' CG ' HG21 ' A' ' 92' ' ' VAL . 26.7 tttp -60.6 -45.99 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -56.44 -36.43 69.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.555 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -81.05 -19.89 42.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -111.97 13.96 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' LYS . 33.6 t -131.32 -72.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 89' ' ' LEU . 24.0 mt -76.21 -43.36 42.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.74 -56.53 8.44 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.7 Cg_endo -69.83 -35.02 13.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.1 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 38.8 m-85 -88.3 -31.09 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.2 tmtt? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.8 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.959 0.409 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 125' ' ' TYR . 69.7 p -106.34 164.91 11.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -136.32 135.79 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.623 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.7 ttt -104.48 134.02 48.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.83 149.2 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -97.91 136.83 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.543 HD11 ' OE2' ' A' ' 43' ' ' GLU . 26.0 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.6 mmm . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.802 0.334 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.64 156.42 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 110' ' ' ILE . 66.7 t -114.29 131.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 52' ' ' MET . 12.2 tt -117.09 139.78 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -150.72 142.02 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.737 ' CD1' HG22 ' A' ' 105' ' ' THR . 9.5 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.873 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.5 tp -64.64 -45.41 86.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -60.12 -41.59 92.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -67.91 -32.25 72.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.5 mt -65.11 -44.69 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.76 -44.28 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.799 HG23 HD12 ' A' ' 85' ' ' LEU . 19.6 m -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.93 81.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.758 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.6 tp -60.0 -47.67 84.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.5 -40.47 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.586 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.61 -52.11 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.586 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 13.4 m-70 -102.88 11.31 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.2 mt-10 39.8 25.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.573 HH21 ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -176.97 130.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.483 ' N ' ' HE ' ' A' ' 41' ' ' ARG . 20.2 pt -146.4 159.7 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.573 ' N ' HH21 ' A' ' 41' ' ' ARG . 18.5 tt0 -102.56 118.81 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 160.9 31.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.817 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.79 171.26 14.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.46 96.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 11.8 mmm-85 -76.41 -34.77 58.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.5 t -64.95 -53.19 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.22 -48.43 78.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.76 -45.9 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.758 ' HE1' HD22 ' A' ' 36' ' ' LEU . 14.9 ptm -71.0 -33.42 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -56.48 -45.62 80.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.38 -43.57 99.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.873 ' CD2' HD21 ' A' ' 29' ' ' LEU . 51.5 m-85 -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.91 78.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.39 -48.06 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.2 tppp? -61.28 -41.31 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.843 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -57.51 -46.9 83.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.533 HD13 HD11 ' A' ' 89' ' ' LEU . 37.9 mm -61.76 -40.03 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.55 -41.49 85.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 38.3 m-85 -70.14 -40.42 74.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.46 90.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.09 -30.55 59.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.98 -33.7 76.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.33 170.34 20.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -81.02 41.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -110.58 -26.28 9.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -93.33 121.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.47 -34.85 67.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.21 -41.93 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.09 86.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 79.9 mmm -70.83 -49.04 50.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.52 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -44.66 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.54 72.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.803 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.9 t70 -72.14 -37.81 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.44 -43.38 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.53 -48.04 13.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 HD21 ' A' ' 59' ' ' LEU . 16.3 mt -98.55 117.92 34.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -80.58 -36.67 32.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 85' ' ' LEU . 12.1 mm-40 -52.64 107.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtt -62.43 -22.85 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 10.5 t0 -86.19 -28.24 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.799 HD12 HG23 ' A' ' 34' ' ' THR . 17.5 mt -74.37 -34.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.8 mt -56.17 -54.34 53.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.737 . . . . 0.0 111.197 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.77 -41.16 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -47.5 86.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 93' ' ' LEU . 13.2 tp -59.43 -34.79 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.7 -19.57 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -111.68 8.98 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 93' ' ' LEU . 25.0 t -127.37 -73.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 92' ' ' VAL . 15.7 mt -73.24 -43.51 61.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.03 -56.34 10.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 111.135 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.7 Cg_endo -69.84 -36.61 10.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.296 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -62.61 -37.02 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 30.5 m-85 -89.39 -35.47 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' TYR . 35.4 tttt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.8 m-85 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.963 0.411 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.684 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.1 p -106.05 157.42 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -132.22 141.82 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -110.82 142.12 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.0 tp -135.25 146.89 49.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 4.3 tt0 -95.8 143.06 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.642 HD13 HG23 ' A' ' 122' ' ' VAL . 28.3 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.15 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 85.0 mmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.774 0.321 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -141.43 160.91 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.642 HG23 HD13 ' A' ' 110' ' ' ILE . 96.8 t -115.96 135.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.59 131.0 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.05 147.78 27.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.684 ' CE1' HG22 ' A' ' 105' ' ' THR . 46.4 m-85 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.1 pp . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.582 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -60.04 -41.57 92.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.12 -33.58 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 15.3 mt -63.49 -44.67 93.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.05 -44.53 84.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 85' ' ' LEU . 14.4 m -64.05 -46.83 82.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.42 -36.77 84.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.684 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.6 tp -59.83 -47.17 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 85' ' ' LEU . 72.3 t -66.63 -41.62 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.723 ' HG2' HD11 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -57.21 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.0 m-70 -99.75 10.65 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 38.6 25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.726 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 39.8 ttt85 -177.91 131.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.2 pt -146.94 158.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 32.1 tt0 -107.82 119.91 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.98 161.63 29.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.581 0.705 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.4 Cg_endo -69.82 173.97 10.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -61.91 -40.4 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.71 96.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.2 mpt_? -76.39 -43.16 41.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.6 t -59.05 -52.98 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -62.11 -48.88 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.56 ' OE2' HD23 ' A' ' 29' ' ' LEU . 25.4 tt0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.684 ' HE1' HD22 ' A' ' 36' ' ' LEU . 12.9 ptm -71.23 -33.11 69.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 23.3 ttp180 -55.61 -48.31 75.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.62 99.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.2 m-85 -68.56 -37.42 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -61.84 -49.54 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.36 -40.53 97.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.31 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 89' ' ' LEU . 36.3 mm -58.39 -38.21 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -57.67 -44.09 85.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 45.1 m-85 -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.535 ' HA2' ' CZ ' ' A' ' 90' ' ' PHE . . . -59.99 -35.74 88.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.85 -30.7 58.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.297 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.2 -27.52 68.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.61 177.42 29.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -82.4 38.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.8 p -110.35 -37.2 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -77.67 112.0 14.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.5 pt-20 -53.74 -48.64 69.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.79 -40.65 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -45.65 83.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.443 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 8.8 mmt -69.39 -38.45 77.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 6.7 mmt180 -56.36 -51.39 68.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.401 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 9.8 ttt -66.98 -45.07 78.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.53 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 86' ' ' ILE . 17.1 t0 -70.58 -38.78 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -62.8 -41.85 99.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.582 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 66.0 m95 -80.76 -47.77 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.2 111.55 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -82.77 -17.16 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 85' ' ' LEU . 5.2 mm-40 -75.62 98.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -54.16 -14.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 29.8 t70 -90.35 -33.49 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 38' ' ' ARG . 33.7 mt -75.24 -30.25 60.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.1 mt -60.08 -53.87 60.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.75 -41.27 4.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.5 tttt -65.16 -46.51 80.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.811 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -55.98 -35.16 66.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.7 m-85 -78.76 -22.4 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -111.89 12.42 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 88' ' ' LYS . 29.0 t -128.13 -71.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 HD13 ' A' ' 89' ' ' LEU . 36.0 mt -76.41 -42.69 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.85 -56.2 10.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.542 0.687 . . . . 0.0 111.186 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.81 -22.89 31.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -74.93 -43.27 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 98' ' ' LYS . 31.9 m-85 -87.01 -42.36 13.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 17.9 tptp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.2 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.954 0.407 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.6 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.7 p -107.88 161.8 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -134.01 140.13 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.97 131.17 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.7 tp -122.55 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.17 129.73 39.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.1 pt . . . . . 0 C--N 1.33 -0.244 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 85.1 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.7 0.286 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.6 156.8 42.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 93.0 t -118.2 130.11 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.7 tt -115.63 137.13 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -149.49 145.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CE1' HG22 ' A' ' 105' ' ' THR . 25.5 m-85 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD11 ' OE1' ' A' ' 51' ' ' GLU . 12.2 mt -59.17 -46.78 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 20.4 mtp180 -59.77 -43.75 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.37 -32.31 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.47 -45.01 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 91.3 mt -65.35 -44.85 86.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.579 HG23 HD12 ' A' ' 85' ' ' LEU . 19.3 m -62.9 -47.85 81.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.13 91.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.4 tp -59.33 -47.76 84.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 33' ' ' LEU . 54.1 t -65.76 -40.22 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -57.92 -52.72 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -102.22 13.6 34.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.3 mt-10 39.45 25.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' HIS . 16.1 ttt180 -179.44 131.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 52' ' ' MET . 6.4 pt -146.55 159.69 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -106.45 122.26 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.9 161.83 28.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.955 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.4 Cg_endo -69.77 173.37 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -62.3 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.4 mpt_? -76.43 -39.05 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.6 t -62.53 -52.64 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.38 -48.93 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.534 ' OE1' HD11 ' A' ' 29' ' ' LEU . 20.0 tt0 -60.74 -46.07 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.594 ' HE1' HD11 ' A' ' 42' ' ' ILE . 16.3 ptm -71.25 -32.88 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 31.9 ttp180 -57.21 -47.34 81.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.46 99.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.781 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 55.0 m-85 -70.45 -36.18 73.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.0 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.62 -48.97 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 10.7 tppt? -60.93 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.483 HD21 HD11 ' A' ' 80' ' ' LEU . 17.6 tp -60.63 -50.28 74.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.592 HD13 HD11 ' A' ' 89' ' ' LEU . 37.1 mm -57.93 -42.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.78 -43.97 85.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 26.6 m-85 -60.93 -45.58 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.75 -37.13 91.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -54.9 -30.05 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.26 -39.13 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.72 162.89 9.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.525 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 p30 -84.35 -26.07 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -68.16 -27.08 66.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.73 119.55 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 54.0 mt-10 -64.65 -40.43 95.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -57.73 -45.42 85.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.73 85.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt -60.64 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 31.9 mtp180 -62.25 -44.19 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 6.6 tpt -64.2 -45.16 89.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.5 82.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.667 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.9 t70 -72.08 -38.35 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 28.6 t80 -65.76 -42.5 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.781 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.8 m95 -81.11 -48.13 12.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 89' ' ' LEU . 33.9 mt -97.25 130.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -88.79 -42.63 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -52.97 112.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.468 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.5 mmtt -63.48 -22.0 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 19.6 m-20 -85.42 -30.84 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 34' ' ' THR . 24.1 mt -74.4 -30.95 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.5 mt -57.22 -54.59 53.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.71 -41.27 4.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.749 ' CG ' HG21 ' A' ' 92' ' ' VAL . 39.7 tttt -61.09 -44.66 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.665 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.3 tp -54.88 -34.27 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.2 m-85 -80.66 -23.58 39.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.38 17.42 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 88' ' ' LYS . 20.4 t -130.34 -68.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 89' ' ' LEU . 47.8 mt -82.57 -40.7 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.84 -56.86 7.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.72 -36.16 11.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -65.29 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 50.2 m-85 -95.83 -31.38 13.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 tttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.7 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -114.78 163.34 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -139.67 141.97 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.642 ' HG3' HG11 ' A' ' 49' ' ' VAL . 3.2 ttt -111.43 132.1 54.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 ' H ' ' A' ' 109' ' ' GLN . 22.7 tp -117.32 152.49 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -104.5 132.52 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 122' ' ' VAL . 16.0 pt . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.754 0.312 . . . . 0.0 110.959 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.651 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -148.54 160.41 43.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 110' ' ' ILE . 73.8 t -119.51 123.87 71.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.494 HG21 ' SD ' ' A' ' 52' ' ' MET . 14.6 tt -114.27 134.63 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -149.86 148.23 28.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.9 mt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 55' ' ' TYR . 79.0 mt -61.11 -43.08 99.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.687 HH21 HG22 ' A' ' 81' ' ' THR . 23.4 mtp180 -59.9 -42.49 93.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -68.21 -34.48 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HE ' ' A' ' 48' ' ' ARG . 24.4 mt -62.78 -45.9 90.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 46.9 mt -65.22 -44.5 88.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 85' ' ' LEU . 8.1 m -65.9 -44.18 86.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.68 80.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.7 tp -61.09 -48.62 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.04 -40.72 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -57.67 -52.04 67.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.0 m-70 -101.8 13.09 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 mt-10 39.85 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 40.8 ttt180 -177.66 131.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 pt -143.32 159.04 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -110.72 118.81 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 161.29 30.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.0 Cg_endo -69.75 172.89 11.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -61.82 -39.52 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.98 99.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HE ' HD11 ' A' ' 32' ' ' LEU . 22.2 mmm-85 -76.29 -37.73 57.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 45' ' ' PRO . 47.4 t -65.55 -46.92 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -64.27 -48.71 74.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.01 -46.22 82.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.797 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.64 -32.71 70.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 38.1 ttt180 -61.24 -44.43 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.7 -43.38 99.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.797 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 58.4 m-85 -69.47 -36.86 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.65 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.01 -48.98 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -60.48 -40.56 91.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 13.6 tp -59.0 -43.45 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 89' ' ' LEU . 36.2 mm -63.12 -42.09 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.19 -44.81 83.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.15 -41.89 96.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -35.93 88.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -55.93 -30.74 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.75 -32.09 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.26 166.93 21.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.42 42.52 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -112.67 -21.57 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -97.88 123.73 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.73 -36.82 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -61.5 -40.66 95.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.43 88.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.2 mmm -68.54 -49.24 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -63.24 -39.67 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.21 -42.76 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.9 70.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 86' ' ' ILE . 33.8 t0 -71.95 -35.32 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.495 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 41.3 t80 -68.84 -44.03 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.797 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.6 m95 -81.18 -48.31 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 52.3 mt -97.23 104.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.687 HG22 HH21 ' A' ' 30' ' ' ARG . 32.6 p -69.25 -35.2 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.1 mm-40 -57.02 110.41 0.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.452 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 30.6 mmtt -62.91 -24.99 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.433 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 17.9 t0 -82.78 -31.1 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 34' ' ' THR . 19.2 mt -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.8 mt -55.24 -55.4 39.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.8 Cg_endo -69.82 -41.17 4.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 92' ' ' VAL . 11.0 ttpt -60.92 -47.87 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.963 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -56.85 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -81.27 -18.94 44.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -110.6 10.04 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.507 HG21 ' HG2' ' A' ' 88' ' ' LYS . 66.2 t -132.63 -74.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.963 HD12 HD13 ' A' ' 89' ' ' LEU . 30.0 mt -68.5 -40.64 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -52.0 -56.83 18.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.81 -39.89 5.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.366 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.21 -47.94 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . 56.7 m-85 -97.36 37.09 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 97' ' ' TYR . 5.7 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.978 0.418 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 70.9 p -106.31 160.45 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -132.56 140.72 48.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.4 ttt -105.77 136.82 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.1 tp -128.97 147.54 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -102.98 121.41 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.9 pt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.127 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.8 mmm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.802 0.334 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.97 160.3 44.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.405 HG11 ' HE ' ' A' ' 41' ' ' ARG . 83.6 t -124.85 131.95 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.797 HD13 ' SD ' ' A' ' 52' ' ' MET . 18.8 tt -119.81 133.13 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 154.92 38.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.912 0.387 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.01 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.4 OUTLIER -59.0 -46.65 87.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.96 -42.92 97.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -69.46 -31.02 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 42' ' ' ILE . 31.4 mt -70.12 -41.89 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD12 ' CE3' ' A' ' 79' ' ' TRP . 82.8 mt -65.59 -44.75 85.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.735 HG23 HD12 ' A' ' 85' ' ' LEU . 8.9 m -65.82 -48.12 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.57 -36.19 76.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.8 tp -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.7 t -66.89 -40.58 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.26 -52.38 65.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.0 m-70 -100.23 9.53 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LEU . 30.6 mt-10 39.53 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 27.7 ttp180 -178.0 130.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 5.1 pt -147.91 160.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.05 119.16 38.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.54 30.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.777 ' O ' HG23 ' A' ' 49' ' ' VAL . 52.7 Cg_endo -69.86 170.75 15.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.611 2.207 . . . . 0.0 112.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.455 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 8.0 t-105 -61.09 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.68 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.1 mmt85 -76.62 -34.87 58.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 45' ' ' PRO . 54.1 t -66.1 -51.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.37 -48.6 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.09 -45.51 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.738 ' HE1' HD22 ' A' ' 36' ' ' LEU . 21.2 ptm -70.67 -33.04 70.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 107' ' ' MET . 14.5 ttm180 -58.5 -46.6 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.72 -43.21 99.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 56.2 m-85 -69.99 -40.1 75.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.81 84.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -48.86 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -62.22 -40.12 95.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -58.09 -48.64 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.672 HD13 HD11 ' A' ' 89' ' ' LEU . 45.8 mm -60.19 -41.97 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -56.36 -42.79 78.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 28.3 m-85 -70.53 -38.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.09 82.91 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 60' ' ' ILE . 62.2 mttt -53.65 -31.22 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.463 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 15.0 mt -66.21 -32.89 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.51 176.91 21.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.44 39.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -115.0 -27.13 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 16.5 m-80 -82.4 133.52 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.83 -48.0 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -57.88 -39.38 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.43 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.5 mmt -70.18 -49.3 51.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -59.13 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mtp -58.91 -43.53 91.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.0 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 86' ' ' ILE . 34.9 t0 -72.0 -41.78 67.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.4 -43.44 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 1.01 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 22.4 m95 -76.35 -47.59 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.624 HD11 HD22 ' A' ' 89' ' ' LEU . 33.4 mt -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.006 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -77.68 -33.01 53.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 85' ' ' LEU . 9.7 mm-40 -57.39 112.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 9.5 mmpt? -63.13 -20.42 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.2 m-20 -88.3 -28.1 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.735 HD12 HG23 ' A' ' 34' ' ' THR . 19.4 mt -75.22 -33.2 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.602 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -58.18 -53.68 63.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.19 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.84 -41.05 4.51 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.625 2.216 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.505 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.88 -34.77 65.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.3 m-85 -80.83 -19.78 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -111.66 11.95 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 93' ' ' LEU . 14.3 t -131.33 -74.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 89' ' ' LEU . 27.6 mt -72.56 -41.9 65.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.696 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.96 -56.32 14.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.696 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.77 -34.15 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.382 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -64.74 -39.6 93.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.57 39.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.882 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 125' ' ' TYR . 80.4 p -106.01 165.64 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -127.19 140.77 52.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.455 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 6.4 ttt -105.63 125.7 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 tp -114.99 143.25 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.67 140.17 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 122' ' ' VAL . 48.0 pt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.42 156.32 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 110' ' ' ILE . 79.5 t -117.63 134.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 36' ' ' LEU . 16.9 tt -117.66 137.03 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -145.27 154.37 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 105' ' ' THR . 8.8 m-85 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 55' ' ' TYR . 2.4 tt -59.21 -48.06 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -60.57 -39.78 89.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.31 -34.63 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 42' ' ' ILE . 21.0 mt -65.44 -45.97 81.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.77 -44.98 94.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 HD12 ' A' ' 85' ' ' LEU . 16.8 m -67.65 -44.99 76.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.21 -36.56 79.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -61.28 -48.42 81.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.9 -40.78 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.97 -52.31 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' ARG . 15.9 m-70 -102.63 11.52 37.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.0 mp0 39.99 25.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.0 ttt180 -176.9 131.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.552 HD12 HD22 ' A' ' 32' ' ' LEU . 16.7 pt -146.64 159.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 35.4 tt0 -106.55 120.61 42.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.09 160.91 31.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.77 170.26 16.99 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.609 2.206 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -62.22 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.39 93.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 15.5 mmm-85 -76.52 -38.45 55.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 107' ' ' MET . 29.4 t -63.06 -49.55 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.93 -49.15 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.88 -46.92 87.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.455 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.0 ppp? -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -58.04 -42.46 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -44.0 98.55 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.5 m-85 -67.17 -43.89 81.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.26 91.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.99 -49.25 78.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -59.56 -42.15 91.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -56.04 -49.19 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.415 HG22 ' HE3' ' A' ' 64' ' ' LYS . 45.2 mm -59.15 -39.81 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.69 -45.18 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.24 -39.23 89.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 -34.96 86.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HE3' HG22 ' A' ' 60' ' ' ILE . 47.7 mttt -53.63 -30.08 41.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.67 168.43 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -79.55 43.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.3 p -116.29 -36.82 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -77.29 125.17 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.1 -43.85 82.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -57.16 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.17 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.415 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 3.6 mmt -68.22 -49.43 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -63.96 -44.94 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 tpt -58.7 -44.66 90.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.39 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.4 t70 -72.42 -34.73 68.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.15 -44.09 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 88.8 m95 -80.99 -47.17 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 89' ' ' LEU . 22.4 mt -97.64 109.41 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.7 p -72.4 -38.25 68.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 85' ' ' LEU . 6.1 mm-40 -55.78 107.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 32.4 mmtp -61.15 -22.84 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.7 t0 -83.7 -30.65 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.684 HD12 HG23 ' A' ' 34' ' ' THR . 21.3 mt -73.38 -31.63 64.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.3 mt -55.62 -55.12 43.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.185 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.83 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.6 tp -59.04 -34.99 72.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.7 m-85 -81.29 -19.42 42.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.49 11.98 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.485 HG21 ' HG2' ' A' ' 88' ' ' LYS . 39.2 t -130.79 -73.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.83 HD12 ' CD1' ' A' ' 89' ' ' LEU . 41.4 mt -72.94 -44.91 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.93 -56.64 8.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.77 -25.88 28.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.618 2.212 . . . . 0.0 112.358 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -69.88 -42.18 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.12 39.07 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.954 0.407 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.617 HG22 ' CE1' ' A' ' 125' ' ' TYR . 47.8 p -105.92 145.03 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -116.02 139.22 50.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.58 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.6 ttm -104.56 125.95 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 tp -112.48 144.6 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -104.34 136.05 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.65 0.738 . . . . 0.0 111.18 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.45 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 88.4 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -150.33 160.63 43.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.88 132.27 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.455 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.5 tt -112.97 137.4 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -151.11 142.63 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.617 ' CE1' HG22 ' A' ' 105' ' ' THR . 27.0 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.33 -47.43 86.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -59.69 -43.12 94.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.44 -32.03 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 42' ' ' ILE . 27.6 mt -63.61 -46.21 86.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.456 HD12 ' CE3' ' A' ' 79' ' ' TRP . 31.1 mt -65.34 -44.59 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.681 HG23 HD12 ' A' ' 85' ' ' LEU . 29.2 m -65.23 -44.65 87.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.07 -36.83 81.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 ' HA ' HG23 ' A' ' 42' ' ' ILE . 9.9 tp -60.28 -48.29 82.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.41 -40.61 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -57.95 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.4 m-70 -101.57 13.29 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.6 mt-10 39.75 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -176.71 131.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.698 HG23 ' HA ' ' A' ' 36' ' ' LEU . 31.2 pt -145.74 159.36 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 48.4 tt0 -113.76 123.48 49.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.777 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.08 160.91 31.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.771 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.2 Cg_endo -69.78 174.24 9.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -62.33 -40.14 95.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HE ' ' CG ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -76.71 -36.32 57.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 45' ' ' PRO . 55.1 t -63.16 -50.19 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.55 -46.5 88.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.687 ' HE3' HD11 ' A' ' 42' ' ' ILE . 2.6 ppp? -70.93 -33.53 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -57.45 -48.96 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.666 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 43.4 m-85 -67.97 -39.21 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.27 99.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.72 -49.2 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 5.8 tppt? -60.47 -38.33 83.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.592 HD21 HD11 ' A' ' 80' ' ' LEU . 21.3 tp -58.54 -49.16 78.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 104' ' ' TYR . 39.8 mm -61.1 -38.56 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.05 -42.47 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 45.2 m-85 -71.1 -41.2 70.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.54 -40.56 96.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.418 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 7.8 mtpm? -54.67 -29.61 53.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.99 -34.01 77.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.62 170.83 22.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 49.6 t0 -78.69 43.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.0 t -111.98 -35.61 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.14 121.72 29.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.4 -37.89 70.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.5 mtm-85 -58.2 -40.92 82.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.21 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 75.7 mmm -64.49 -49.64 70.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 15.8 ptt180 -62.8 -43.13 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.43 ' CE ' ' NE1' ' A' ' 79' ' ' TRP . 7.4 tpt -62.64 -42.92 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.04 -37.91 78.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.685 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t70 -72.32 -37.61 68.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -67.87 -42.58 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.666 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.92 -48.19 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.592 HD11 HD21 ' A' ' 59' ' ' LEU . 31.4 mt -101.57 104.56 15.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 p -68.88 -38.0 79.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.0 mm-40 -52.83 110.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 20.1 mmtp -64.03 -17.69 63.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.5 t70 -88.5 -31.56 18.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.681 HD12 HG23 ' A' ' 34' ' ' THR . 24.5 mt -75.22 -32.2 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 77' ' ' ASP . 52.3 mt -57.41 -53.53 64.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.79 -41.41 4.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.609 ' CG ' HG21 ' A' ' 92' ' ' VAL . 37.2 tttt -63.66 -44.36 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.816 ' CD1' HD12 ' A' ' 93' ' ' LEU . 10.3 tp -55.65 -35.14 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.5 m-85 -81.14 -21.74 39.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -112.01 15.47 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.609 HG21 ' CG ' ' A' ' 88' ' ' LYS . 41.5 t -134.2 -69.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 89' ' ' LEU . 39.9 mt -76.83 -45.7 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.659 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.53 -55.59 9.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.722 . . . . 0.0 111.077 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.7 -23.27 31.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 0.0 112.375 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -73.67 -48.05 35.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 36.0 m-85 -103.64 40.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.452 ' CD1' HG21 ' A' ' 60' ' ' ILE . 5.6 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.2 p -106.28 158.76 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -119.19 134.01 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.448 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.6 ttt -105.91 122.23 45.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 55.7 tp -114.51 148.5 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.62 128.54 49.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 HG23 ' A' ' 122' ' ' VAL . 21.5 pt . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 79.8 mmm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -147.63 156.43 42.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 110' ' ' ILE . 77.8 t -116.05 130.49 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.535 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.7 tt -117.71 141.09 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -150.89 143.83 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.854 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.1 tp -65.41 -47.01 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -62.26 -37.14 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -66.94 -36.77 82.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 48' ' ' ARG . 17.7 mt -65.2 -44.51 88.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.46 -44.51 96.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 85' ' ' LEU . 22.0 m -65.65 -46.89 77.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.21 81.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 52' ' ' MET . 11.0 tp -59.8 -48.11 83.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' A' ' 125' ' ' TYR . 99.0 t -66.36 -40.48 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -59.07 -52.33 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.9 m-70 -98.59 8.91 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' LEU . 91.5 mt-10 39.61 24.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 ttp85 -178.1 131.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.3 pt -146.1 159.37 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -105.0 118.77 37.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.32 161.02 30.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.808 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.74 170.62 16.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.9 t-105 -62.27 -42.7 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.31 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.1 tpp85 -76.68 -37.55 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.6 t -61.67 -51.28 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.85 -48.84 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.22 -46.6 89.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.542 ' HE1' HD22 ' A' ' 36' ' ' LEU . 2.5 ppp? -71.43 -32.82 68.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' MET . 19.1 ttp180 -57.99 -44.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -43.33 99.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.565 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.854 ' CD2' HD21 ' A' ' 29' ' ' LEU . 49.9 m-85 -69.73 -42.47 73.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.921 0.391 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.31 96.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.49 -49.16 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -60.2 -48.04 83.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.411 HD13 HD11 ' A' ' 89' ' ' LEU . 31.4 mm -58.5 -42.27 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -58.89 -42.08 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.56 -44.9 92.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.73 87.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -55.33 -30.86 61.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.94 -37.28 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.22 169.53 11.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.7 p30 -84.75 -22.19 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -67.52 -32.32 73.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.82 117.32 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -58.05 -42.65 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -59.73 -44.19 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.7 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.8 -48.9 78.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -66.22 -38.73 88.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -66.55 -45.24 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.732 ' HA ' HD11 ' A' ' 86' ' ' ILE . 24.5 t70 -72.14 -38.51 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.5 -43.34 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.9 m95 -80.25 -47.98 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 13.5 mt -99.32 125.01 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.2 p -85.86 -34.26 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 85' ' ' LEU . 16.9 mm-40 -55.54 110.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 49.3 mmtt -64.76 -20.7 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 33.3 t70 -87.63 -31.78 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 34' ' ' THR . 26.8 mt -73.84 -31.04 63.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.5 mt -57.79 -55.08 48.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.8 -40.7 4.95 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HE2' HG11 ' A' ' 92' ' ' VAL . 3.9 tmtt? -62.78 -45.93 90.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 93' ' ' LEU . 13.7 tp -57.22 -35.13 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.486 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -81.3 -19.86 42.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -110.28 11.0 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.527 HG11 ' HE2' ' A' ' 88' ' ' LYS . 20.8 t -131.99 -72.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 89' ' ' LEU . 40.7 mt -70.52 -45.01 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.94 -56.86 10.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.078 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.74 -40.17 5.68 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.19 -39.75 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 31.7 m-85 -87.15 -43.19 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' TYR . 19.8 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.907 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 3.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.7 p -106.34 154.48 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -127.82 139.65 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.488 ' HE2' HG11 ' A' ' 49' ' ' VAL . 6.9 ttt -107.2 135.44 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.8 tp -125.3 142.73 51.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -98.08 137.38 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.0 pt . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 111.115 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.1 mmm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.75 161.13 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.37 132.37 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' SD ' ' A' ' 52' ' ' MET . 17.0 tt -116.5 140.08 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.94 145.4 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.567 ' CE1' HG22 ' A' ' 105' ' ' THR . 12.0 m-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.3 tt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.05 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -59.91 -42.83 94.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.53 -38.64 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 32' ' ' LEU . 28.9 mt -60.3 -45.43 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.55 -44.65 95.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' CD1' ' A' ' 85' ' ' LEU . 22.9 m -65.55 -45.25 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.22 -36.91 80.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -59.97 -48.18 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.44 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.93 -52.28 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.5 m-70 -102.96 12.43 36.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.5 mt-10 39.62 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' HIS . 54.3 ttt-85 -177.1 131.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.403 HG23 ' HA ' ' A' ' 36' ' ' LEU . 18.6 pt -146.8 159.23 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -106.78 119.74 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.15 161.35 30.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.896 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.7 171.62 14.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 2.0 t-105 -62.54 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.66 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -37.03 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 45' ' ' PRO . 95.7 t -62.27 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.81 -48.92 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.2 -45.54 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.518 ' SD ' HG21 ' A' ' 123' ' ' ILE . 12.5 ptm -70.63 -32.96 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.8 ttt180 -56.0 -47.31 77.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.34 99.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 59.0 m-85 -69.32 -38.15 78.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.75 82.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.91 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 2.9 tppt? -64.13 -38.63 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 80' ' ' LEU . 18.5 tp -59.57 -47.37 85.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 89' ' ' LEU . 40.1 mm -61.73 -42.08 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.24 -41.58 79.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 57.1 m-85 -65.94 -44.19 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.98 -35.77 88.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.408 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -56.33 -30.63 62.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.64 -34.37 78.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.39 169.01 19.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.25 42.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -109.54 -35.35 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -86.85 121.63 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 8.4 pt-20 -57.75 -34.89 70.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 1.3 tmm_? -61.96 -41.66 98.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 84.3 mmm -69.6 -49.63 52.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 34.3 ptt85 -61.44 -41.72 97.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.35 -42.6 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.01 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 86' ' ' ILE . 38.7 t0 -71.37 -34.27 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -68.46 -43.38 77.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.586 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.3 m95 -81.17 -48.14 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 89' ' ' LEU . 67.5 mt -94.4 113.14 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -79.93 -29.37 39.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.793 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.1 mt-10 -64.45 108.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 26.7 mmtp -61.45 -17.68 55.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.4 t70 -88.96 -29.27 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 82' ' ' GLU . 30.8 mt -75.42 -33.18 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 77' ' ' ASP . 55.8 mt -58.05 -53.21 68.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.3 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.401 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 92' ' ' VAL . 9.9 ttpp -63.82 -48.16 77.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.74 -35.39 66.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.6 m-85 -81.19 -20.71 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -112.05 12.57 20.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 93' ' ' LEU . 30.2 t -131.37 -73.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 92' ' ' VAL . 16.3 mt -73.67 -41.53 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.0 -56.5 13.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.76 -23.65 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.79 -41.05 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 55.0 m-85 -88.37 -38.84 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 26.3 tttp . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.957 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 12.5 m-85 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.36 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -121.87 142.03 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' HG11 ' A' ' 49' ' ' VAL . 2.1 ttt -108.55 127.1 53.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.6 tp -115.27 145.32 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.92 126.42 44.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.3 mmm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.693 0.282 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.0 157.21 43.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.32 123.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.518 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.4 tt -117.34 131.4 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -147.83 155.97 42.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.916 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.874 0.369 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.99 -46.25 88.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -63.76 -43.67 95.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.84 -31.64 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.73 -41.01 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.47 -45.21 80.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.687 HG23 HD12 ' A' ' 85' ' ' LEU . 21.4 m -64.92 -46.48 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.93 -36.23 81.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HE1' ' A' ' 52' ' ' MET . 6.6 tp -59.18 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.44 -40.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.46 ' HE ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -61.31 -51.98 66.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' ARG . 30.9 m-70 -95.62 6.96 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.1 mm-40 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' HIS . 30.4 ttm180 -179.57 131.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 52' ' ' MET . 7.6 pt -146.83 159.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -112.38 121.0 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.93 161.16 30.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.75 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.647 2.231 . . . . 0.0 112.325 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.25 -31.28 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.97 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -77.23 -35.37 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.9 t -66.43 -47.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.79 -48.2 75.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.88 -46.21 79.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.86 -32.83 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 27.6 ttm-85 -60.75 -47.1 87.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.73 -42.87 99.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.13 -39.07 79.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.85 87.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.91 -49.07 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.14 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -45.46 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 89' ' ' LEU . 34.8 mm -62.47 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.493 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 6.1 t70 -56.76 -42.63 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 27.7 m-85 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.38 86.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HZ1' ' HA ' ' A' ' 61' ' ' ASP . 24.6 mtmm -54.64 -30.79 56.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.723 0.297 . . . . 0.0 110.809 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.461 HD13 HD22 ' A' ' 69' ' ' ASN . 30.4 mt -65.83 -34.18 77.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.69 176.21 19.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -82.03 39.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -115.77 -27.42 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.461 HD22 HD13 ' A' ' 65' ' ' LEU . 4.0 t-20 -81.34 127.67 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 11.0 pt-20 -63.36 -41.79 98.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 12.1 tpp85 -62.93 -44.95 94.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . . . -66.63 -46.89 74.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.435 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 9.0 mmt -61.41 -47.9 83.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 75' ' ' MET . 9.8 ptp180 -63.64 -37.05 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 14.6 mtp -65.87 -45.19 83.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.04 80.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.773 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.1 t70 -72.44 -37.79 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.21 -40.76 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -80.06 -44.88 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.61 116.55 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p -79.17 -19.87 49.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.5 mt-10 -70.81 96.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 7.9 mmmm -53.0 -24.64 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 18.4 t70 -83.2 -28.97 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.687 HD12 HG23 ' A' ' 34' ' ' THR . 20.3 mt -73.92 -29.73 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 77' ' ' ASP . 37.2 mt -57.67 -55.03 49.06 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.631 0.729 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.82 -41.48 4.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' CD ' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.79 -48.2 81.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.954 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.9 tp -61.01 -34.91 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.6 m-85 -79.85 -19.85 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -111.56 10.05 21.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.423 HG12 HD23 ' A' ' 93' ' ' LEU . 48.2 t -128.89 -73.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.954 HD12 ' CD1' ' A' ' 89' ' ' LEU . 36.6 mt -69.55 -40.35 76.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -51.85 -56.67 19.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.542 0.687 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.78 -24.83 29.15 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 7.1 tpm_? -74.91 -35.14 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.552 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 44.2 m-85 -91.78 -39.54 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.1 ttmm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 125' ' ' TYR . 80.8 p -106.05 155.89 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -125.72 139.69 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.4 ttt -106.7 122.0 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.04 141.33 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -100.81 142.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 28.5 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.084 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.495 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.758 0.313 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.03 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.95 132.43 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.733 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -120.5 141.23 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 7.3 mp0 -146.02 154.75 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 105' ' ' THR . 6.7 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 55' ' ' TYR . 10.0 tp -61.41 -46.76 88.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -60.01 -42.98 95.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.15 -31.94 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.36 -43.73 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.06 -44.44 84.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.659 HG21 ' OE2' ' A' ' 82' ' ' GLU . 11.8 m -65.08 -45.15 86.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.97 -36.8 82.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.602 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HA ' HG23 ' A' ' 42' ' ' ILE . 6.5 tp -60.31 -47.91 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.35 -40.22 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD2' ' NE2' ' A' ' 39' ' ' HIS . 46.9 ttm-85 -55.49 -52.27 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.7 m-70 -104.42 13.6 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 57.4 mt-10 39.78 24.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 1.5 tmm_? -177.29 131.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.79 159.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.59 121.51 43.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 161.34 30.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.572 0.701 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.71 171.4 14.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.4 t-105 -62.27 -42.12 99.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 5.0 mmp_? -76.74 -33.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 45' ' ' PRO . 19.8 t -64.95 -53.11 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.35 -48.73 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.25 -45.6 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.479 ' SD ' HG21 ' A' ' 123' ' ' ILE . 16.3 ptm -70.77 -32.94 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.6 99.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 29' ' ' LEU . 50.6 m-85 -69.97 -38.75 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.988 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.7 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.17 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.9 -49.29 76.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.5 tppp? -59.65 -38.21 80.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 80' ' ' LEU . 62.4 tp -60.38 -47.74 84.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.13 -42.33 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 25.6 m-85 -68.06 -43.7 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.53 88.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -54.44 -29.68 50.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.75 -40.08 94.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.8 175.16 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.49 -17.63 47.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.808 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 p -82.8 23.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.826 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 2.1 t-20 -105.57 121.56 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.43 -48.33 70.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CG ' ' OD1' ' A' ' 69' ' ' ASN . 9.2 ptp180 -63.29 -42.82 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' ASN . . . -66.99 -42.1 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.6 mmt -61.26 -49.1 78.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' MET . 23.9 ptt180 -64.68 -39.74 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 7.0 tpt -67.18 -45.06 78.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.13 78.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HA ' HD11 ' A' ' 86' ' ' ILE . 14.1 t0 -72.27 -41.0 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -63.59 -44.05 95.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.5 m95 -80.63 -48.2 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.785 HD11 HD21 ' A' ' 59' ' ' LEU . 15.5 mt -98.29 114.64 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -79.01 -24.63 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.659 ' OE2' HG21 ' A' ' 34' ' ' THR . 0.2 OUTLIER -66.17 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.5 mmmm -54.76 -16.03 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.451 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.04 -34.27 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 82' ' ' GLU . 32.8 mt -74.2 -28.19 61.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.847 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.7 mt -58.66 -54.59 54.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.75 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.6 Cg_endo -69.83 -41.32 4.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -64.14 -48.43 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.995 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.8 tp -56.71 -34.44 67.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -80.97 -19.92 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.76 12.37 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 88' ' ' LYS . 55.1 t -133.18 -72.3 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.995 HD12 ' CD1' ' A' ' 89' ' ' LEU . 22.9 mt -66.37 -44.29 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -50.62 -57.16 14.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.715 . . . . 0.0 111.169 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.4 Cg_endo -69.68 -26.64 27.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -75.08 -33.09 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 44.4 m-85 -91.84 -37.38 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' TYR . 14.4 tttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.963 0.411 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.0 p -106.09 164.7 11.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -138.58 137.66 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.574 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 2.0 ttt -105.5 133.01 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.4 tp -127.01 142.17 51.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -101.11 135.19 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.7 pt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 111.148 179.893 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.9 mtp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -148.78 161.01 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.11 125.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.479 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.6 tt -117.7 132.19 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.61 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.549 ' CE1' HG22 ' A' ' 105' ' ' THR . 38.8 m-85 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 29' ' ' LEU . 4.0 pp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.9 mt -59.87 -47.84 84.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -65.86 -35.61 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.93 -45.28 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -64.6 -48.61 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.18 87.82 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.2 tp -59.41 -46.79 87.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.06 -40.51 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -55.88 -52.13 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -102.75 11.53 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 21.7 mt-10 40.14 25.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 20.2 ttp85 -177.73 131.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.8 pt -147.28 159.46 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 37.5 tt0 -102.95 120.78 41.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.7 160.78 31.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.949 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.5 Cg_endo -69.77 171.84 13.73 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -62.36 -45.39 93.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.78 85.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.6 mmp_? -76.82 -32.86 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 45' ' ' PRO . 62.2 t -65.93 -52.72 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.44 -48.64 76.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.8 -46.04 88.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.5 ' HE1' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -70.84 -33.26 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -56.33 -48.69 76.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.48 99.25 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.777 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 47.8 m-85 -68.41 -38.28 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.41 82.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.43 -48.95 78.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -61.15 -41.39 96.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 80' ' ' LEU . 22.7 tp -56.42 -48.42 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.606 HD13 HD11 ' A' ' 89' ' ' LEU . 45.7 mm -61.57 -39.72 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -41.36 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -68.37 -41.17 80.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.551 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.6 -36.59 90.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.82 -30.28 56.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.362 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 24.3 mt -65.66 -40.62 92.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.7 165.53 10.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.515 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 8.4 p-10 -81.23 -28.98 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -64.1 -28.91 70.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 9.3 m-20 -55.47 114.93 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.7 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.65 -44.96 86.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.46 -49.19 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -57.11 -47.82 80.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -61.22 -39.06 88.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.99 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.541 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t0 -72.29 -39.49 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.32 -44.45 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.777 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.4 m95 -81.35 -47.43 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 59' ' ' LEU . 20.3 mt -102.32 129.03 48.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.1 p -87.88 -52.27 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.68 111.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.467 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 p-10 -88.42 -32.66 18.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 mt -74.38 -30.12 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.589 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 23.9 mt -58.82 -55.01 50.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.5 Cg_endo -69.85 -41.06 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.275 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.891 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.8 tp -57.55 -34.97 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.551 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 8.8 m-85 -81.32 -19.12 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.65 11.42 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 93' ' ' LEU . 23.8 t -131.1 -73.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.891 HD12 ' CD1' ' A' ' 89' ' ' LEU . 54.2 mt -72.6 -43.89 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.89 -56.42 11.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.135 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.3 Cg_endo -69.81 -35.08 13.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.293 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -62.46 -43.71 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 59.4 m-85 -86.21 -37.53 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 6.3 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.013 0.435 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -111.59 151.03 29.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.9 tpp85 -121.68 136.38 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.547 ' HE3' HG11 ' A' ' 49' ' ' VAL . 5.7 ttt -106.45 120.33 41.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.0 tp -115.84 146.49 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 138.35 41.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 122' ' ' VAL . 29.8 pt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 111.135 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 84.3 mmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -143.1 160.98 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 110' ' ' ILE . 88.8 t -114.87 129.31 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.468 HG21 ' SD ' ' A' ' 52' ' ' MET . 20.0 tt -116.69 131.67 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -148.73 147.9 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.845 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HG2' ' A' ' 51' ' ' GLU . 4.3 mm? -63.44 -48.54 77.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.12 -33.9 76.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.24 -45.71 59.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.76 -44.52 90.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.969 HG23 HD12 ' A' ' 85' ' ' LEU . 91.4 m -64.37 -45.28 88.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.81 83.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.439 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 52' ' ' MET . 10.6 tp -59.86 -48.25 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.64 -40.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.43 -52.33 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -104.77 14.06 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 63.4 mt-10 39.49 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 38.0 ttm180 -177.76 131.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.0 pt -146.79 159.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.83 119.62 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.37 31.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.1 Cg_endo -69.75 167.19 25.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -57.12 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.9 97.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -76.5 -36.52 57.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 107' ' ' MET . 27.0 t -63.07 -50.71 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.33 -47.27 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 29' ' ' LEU . 3.3 tp10 -62.05 -46.09 90.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.726 ' SD ' HD13 ' A' ' 123' ' ' ILE . 1.8 ppp? -70.97 -33.02 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 52' ' ' MET . 27.1 mtm180 -57.56 -50.12 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -43.73 98.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE1' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 m-85 -67.22 -38.84 85.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.82 98.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.05 -49.07 77.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.46 -44.41 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.811 HD21 HD11 ' A' ' 80' ' ' LEU . 30.6 tp -54.63 -46.55 73.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.58 HD13 HD11 ' A' ' 89' ' ' LEU . 36.5 mm -62.51 -38.66 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.85 -44.62 82.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 53.5 m-85 -69.14 -39.32 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.02 -35.67 87.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 38.9 mttp -54.51 -30.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.63 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.07 175.9 25.51 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.78 39.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -109.24 -38.36 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.1 114.78 19.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.2 pt-20 -53.87 -48.36 70.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -56.99 -42.71 80.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.11 83.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.677 ' HE2' ' CZ ' ' A' ' 90' ' ' PHE . 16.0 mmt -66.92 -40.02 87.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 22.9 mmm-85 -55.79 -51.21 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -60.78 -45.59 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.34 96.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.753 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.8 t0 -72.27 -36.43 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.91 -45.05 87.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.584 ' CZ2' ' CE1' ' A' ' 55' ' ' TYR . 97.2 m95 -81.96 -47.46 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HD21 ' A' ' 59' ' ' LEU . 47.3 mt -96.45 98.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -64.58 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -53.3 106.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.2 mmtp -59.36 -26.29 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -82.21 -27.44 32.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 34' ' ' THR . 17.2 mt -74.26 -33.24 63.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 77' ' ' ASP . 31.5 mt -54.85 -54.64 47.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.57 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -60.27 -48.22 82.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.889 ' CD1' HD12 ' A' ' 93' ' ' LEU . 7.8 tp -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CZ ' ' HE2' ' A' ' 73' ' ' MET . 8.5 m-85 -80.95 -19.18 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -111.11 9.91 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 ' HE3' ' A' ' 88' ' ' LYS . 39.1 t -129.19 -74.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.889 HD12 ' CD1' ' A' ' 89' ' ' LEU . 43.7 mt -69.9 -40.89 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.705 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -49.93 -57.06 13.64 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.78 -29.74 23.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -66.84 -42.15 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.427 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 88.1 m-85 -106.58 38.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.9 p -105.98 159.31 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.03 138.59 52.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.466 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 2.2 ttt -108.05 128.26 54.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.5 tp -125.3 144.66 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -102.94 128.42 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.957 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.742 0.306 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.71 160.27 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.59 133.41 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.726 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.6 tt -118.66 138.2 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.62 149.04 29.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.849 0.357 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 1.4 tt -67.06 -47.09 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -59.85 -39.49 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.2 mt -63.95 -42.45 97.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.16 -45.16 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 m -66.43 -46.63 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.06 -36.46 90.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLU . 17.4 tp -60.23 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.64 -40.44 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -56.96 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.7 m-70 -101.54 10.76 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.2 mt-10 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 3.4 tmm_? -178.08 131.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.453 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.1 pt -146.98 159.46 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' HE2' ' A' ' 120' ' ' MET . 28.2 tt0 -103.84 121.05 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.17 158.18 34.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 166.2 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.411 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.631 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 5.8 t-105 -55.83 -41.97 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.23 91.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -76.48 -38.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.667 HG11 ' HE2' ' A' ' 107' ' ' MET . 39.1 t -60.66 -53.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.92 -48.05 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.26 -46.83 87.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.57 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.5 ppp? -70.84 -32.57 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' MET . 45.0 ttt180 -56.54 -43.97 80.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.12 98.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.557 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.0 m-85 -71.12 -41.82 70.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.936 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.2 99.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.19 -49.34 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 11.1 tptm -60.85 -42.74 98.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 80' ' ' LEU . 31.0 tp -55.23 -49.3 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.442 HD13 HD11 ' A' ' 89' ' ' LEU . 30.6 mm -60.74 -38.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.24 -44.19 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 51.2 m-85 -71.19 -39.92 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.69 -37.99 93.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -54.83 -30.41 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.7 -34.02 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.08 171.03 20.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -80.34 42.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -107.93 -39.98 5.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -82.01 130.56 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -62.45 -37.37 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 22.0 ttm180 -58.63 -43.94 89.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.22 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.1 mmt -62.88 -49.85 73.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 75' ' ' MET . 7.2 ptm180 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 31.8 mmm -63.85 -45.15 90.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.92 76.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.8 t70 -71.72 -34.58 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -76.65 -42.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 72.6 m95 -80.72 -48.65 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 59' ' ' LEU . 25.5 mt -101.04 114.57 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -75.56 -30.34 59.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -59.56 97.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 86' ' ' ILE . 16.7 mmtm -56.38 -20.62 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.46 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 7.6 t70 -86.06 -35.94 19.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' HG3' ' A' ' 82' ' ' GLU . 28.0 mt -73.28 -25.47 60.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 50.8 mt -60.2 -55.25 47.22 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.4 Cg_endo -69.78 -41.5 4.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 14.3 ttpt -60.62 -47.14 87.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 93' ' ' LEU . 14.2 tp -57.58 -35.35 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.48 -19.82 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -111.66 9.96 21.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 93' ' ' LEU . 15.9 t -128.66 -73.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 89' ' ' LEU . 40.2 mt -72.37 -42.63 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.9 -56.84 11.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.5 Cg_endo -69.67 -41.05 4.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -56.58 -44.65 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 36.1 m-85 -85.47 -37.87 19.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.886 0.375 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.7 p -105.84 156.28 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -130.3 137.72 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.667 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.4 ttt -109.63 136.77 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 tp -130.35 142.85 50.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -91.74 138.97 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 122' ' ' VAL . 29.1 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.536 ' HE2' ' HG2' ' A' ' 43' ' ' GLU . 22.2 mtp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.15 161.11 43.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 110' ' ' ILE . 71.9 t -122.23 137.31 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.57 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.8 tt -126.86 132.67 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.76 146.02 26.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD21 ' CD2' ' A' ' 55' ' ' TYR . 15.0 tp -65.33 -48.04 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.94 -35.73 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 35.5 mt -69.49 -44.57 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.1 -44.66 87.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -64.33 -42.25 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.86 81.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.745 ' HA ' HG23 ' A' ' 42' ' ' ILE . 8.0 tp -61.31 -46.06 91.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.05 -40.77 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -59.37 -52.28 66.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.4 m-70 -99.9 12.71 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' LEU . 45.3 mt-10 39.68 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 1.048 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 64.0 ttt-85 -176.92 131.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 36' ' ' LEU . 28.8 pt -144.97 159.06 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -100.97 118.79 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.47 154.26 33.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.686 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.8 Cg_endo -69.68 174.3 9.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -62.76 -46.07 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.62 81.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -76.83 -34.6 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 45' ' ' PRO . 49.2 t -62.62 -53.27 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.84 -48.56 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.61 -46.35 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.409 ' HE1' HD11 ' A' ' 42' ' ' ILE . 12.4 ptm -70.46 -34.41 72.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -56.18 -43.26 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.46 -43.36 99.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.763 ' CD2' HD21 ' A' ' 29' ' ' LEU . 54.9 m-85 -71.64 -42.38 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.99 92.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.63 -49.06 72.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -62.07 -39.4 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD11 ' A' ' 80' ' ' LEU . 26.5 tp -58.12 -49.19 77.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 89' ' ' LEU . 30.5 mm -61.12 -39.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -56.66 -45.03 81.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 35.0 m-85 -66.89 -38.43 86.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.84 -35.26 86.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -53.98 -30.64 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 27.5 mt -65.74 -32.05 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.49 178.25 21.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.5 38.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -111.71 -36.26 5.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 17.3 m-80 -74.14 118.39 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.7 mt-10 -56.24 -47.6 78.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -57.18 -43.95 83.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.18 86.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.1 -49.59 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 74' ' ' ARG . 8.7 mtp-105 -60.76 -47.12 87.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.52 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -58.38 -45.48 88.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.84 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.657 ' HA ' HD11 ' A' ' 86' ' ' ILE . 21.8 t0 -72.49 -33.87 67.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.96 -43.82 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 89.9 m95 -80.71 -48.13 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HD21 ' A' ' 59' ' ' LEU . 32.7 mt -102.14 103.91 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 72.9 p -71.07 -36.01 72.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 111.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 2.0 mmmm -67.51 -14.95 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 5.3 m-20 -88.7 -34.68 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.6 mt -57.9 -54.29 56.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.719 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.5 Cg_endo -69.65 -41.39 4.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.418 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CG ' HG21 ' A' ' 92' ' ' VAL . 13.0 tttp -62.7 -46.58 87.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.77 HD13 HD12 ' A' ' 93' ' ' LEU . 13.4 tp -55.21 -34.29 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.7 m-85 -81.3 -20.19 41.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.62 12.44 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 HD23 ' A' ' 93' ' ' LEU . 69.8 t -132.54 -73.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.77 HD12 HD13 ' A' ' 89' ' ' LEU . 23.6 mt -73.08 -42.24 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.14 -55.78 16.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.501 0.667 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.69 -26.77 27.55 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.653 2.236 . . . . 0.0 112.406 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.29 -46.86 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -102.08 38.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 121.026 0.441 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.2 p -108.55 156.69 19.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -119.75 139.5 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.771 ' HE3' HG11 ' A' ' 49' ' ' VAL . 4.6 ttt -107.01 126.1 51.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.07 143.24 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.19 142.63 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.491 HD13 HG23 ' A' ' 122' ' ' VAL . 42.8 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 88.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.582 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.31 157.54 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 1.048 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 88.1 t -116.81 130.68 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 36' ' ' LEU . 15.2 tt -117.5 135.24 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -150.75 150.19 30.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 -179.809 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -46.96 88.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -59.71 -40.27 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -67.54 -36.89 81.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.54 -41.49 98.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.16 -44.76 83.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.788 HG23 HD12 ' A' ' 85' ' ' LEU . 20.4 m -65.71 -42.65 90.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.79 81.39 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -62.46 -46.44 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.84 -40.64 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.0 -52.29 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.6 m-70 -104.03 14.61 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.7 pt-20 39.71 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.4 ttt-85 -176.93 131.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.39 159.32 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.9 122.71 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.8 161.76 29.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.985 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.6 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -60.93 -45.93 92.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.44 79.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.446 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 17.0 mmp_? -76.48 -36.45 57.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.8 t -62.29 -53.55 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.42 -49.21 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -46.22 86.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 ptm -71.53 -33.14 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -54.85 -46.6 74.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.9 98.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 38.8 m-85 -68.26 -41.18 81.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.04 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.01 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -61.32 -42.04 98.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 HD11 ' A' ' 80' ' ' LEU . 36.8 tp -57.31 -46.32 83.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.51 -40.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -57.57 -43.73 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 41.2 m-85 -71.32 -38.94 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.14 -41.32 96.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 6.5 mtpm? -54.86 -30.12 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.63 169.02 20.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.47 40.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.4 p -112.35 -37.01 5.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -76.29 121.83 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.9 pt-20 -54.26 -46.93 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -57.02 -42.91 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.28 -44.17 88.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.84 -38.74 86.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 1.5 mmp_? -58.4 -49.88 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmm -61.62 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.25 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.7 t70 -72.1 -37.86 69.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -73.54 -43.94 58.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 14.6 m95 -78.46 -46.54 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HD22 ' A' ' 89' ' ' LEU . 25.4 mt -107.72 119.75 40.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -80.83 -37.21 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -54.07 110.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.7 mmtt -62.35 -26.57 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 75.1 m-20 -81.87 -29.73 32.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.788 HD12 HG23 ' A' ' 34' ' ' THR . 18.7 mt -73.31 -33.22 65.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.2 mt -54.14 -55.43 36.74 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.73 -41.01 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.282 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -60.89 -45.31 95.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -61.29 -34.5 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.9 m-85 -79.99 -18.99 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -111.17 8.66 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 88' ' ' LYS . 36.2 t -128.72 -71.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.827 HD12 ' CD1' ' A' ' 89' ' ' LEU . 46.0 mt -72.82 -45.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.17 -56.24 9.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.73 -22.93 31.5 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.746 2.298 . . . . 0.0 112.321 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -73.93 -47.9 34.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 87.3 m-85 -91.34 30.81 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 11.0 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.012 0.434 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.0 p -107.97 162.76 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -121.82 142.0 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 ttt -103.96 120.07 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 tp -112.19 142.4 44.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -102.13 125.81 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 111.179 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.49 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.789 0.328 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.589 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.01 161.11 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.45 135.98 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.58 HG23 HD13 ' A' ' 36' ' ' LEU . 15.3 tt -114.73 130.02 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -127.53 145.31 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 105' ' ' THR . 3.3 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 55' ' ' TYR . 12.6 mt -59.27 -37.49 77.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -62.58 -40.66 97.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -68.58 -33.81 74.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.3 -45.94 85.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.47 -44.38 91.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.761 HG23 HD12 ' A' ' 85' ' ' LEU . 11.1 m -65.49 -46.51 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.63 80.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 HD22 ' CE ' ' A' ' 52' ' ' MET . 7.7 tp -59.76 -47.69 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.36 -40.79 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -56.71 -52.16 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -101.68 11.63 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mt-10 40.0 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HE ' HG11 ' A' ' 122' ' ' VAL . 48.2 ttt180 -176.61 131.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.4 pt -147.23 159.26 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.78 121.88 45.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.67 161.1 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.65 161.87 44.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 3.1 t-105 -52.22 -47.09 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -40.68 76.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 81.1 mmt-85 -75.99 -32.85 59.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 121' ' ' ALA . 51.9 t -67.3 -49.25 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.97 -47.49 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -62.26 -46.89 86.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.765 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.8 ppp? -71.23 -32.85 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -57.8 -47.23 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.94 -43.26 99.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.1 m-85 -68.5 -41.6 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.3 -49.28 76.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.16 -39.96 92.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -57.71 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.616 ' CD1' HD11 ' A' ' 89' ' ' LEU . 37.8 mm -59.63 -40.79 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -56.9 -42.38 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 56.0 m-85 -66.49 -43.43 85.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.42 -35.16 88.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -54.0 -30.19 46.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.24 -30.68 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.9 167.74 19.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.09 41.41 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -115.76 -36.18 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.66 116.7 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.06 -38.67 70.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -57.24 -42.17 80.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.7 mmm -60.97 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -62.4 -47.95 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.41 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 7.4 tpt -59.94 -45.13 93.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.06 74.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.701 ' HA ' HD11 ' A' ' 86' ' ' ILE . 45.9 t0 -71.85 -37.01 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -67.49 -41.3 84.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.727 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.8 m95 -80.74 -47.76 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 59' ' ' LEU . 25.8 mt -95.48 111.76 23.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.0 p -87.15 33.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.43 106.73 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 19.7 mmtp -58.49 -18.36 28.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 20.3 t70 -89.05 -32.07 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.761 HD12 HG23 ' A' ' 34' ' ' THR . 19.3 mt -74.84 -30.96 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.701 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.6 mt -59.3 -54.15 59.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.74 -41.17 4.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.29 . . . . 0.0 112.341 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' VAL . 53.2 tttt -64.58 -48.14 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.789 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.7 tp -57.83 -34.87 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.6 m-85 -81.21 -21.06 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -111.88 13.95 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' LYS . 51.0 t -132.88 -73.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.789 HD12 ' CD1' ' A' ' 89' ' ' LEU . 44.8 mt -74.1 -43.26 58.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.33 -56.55 10.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.78 -38.7 7.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -60.26 -36.96 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 25.8 m-85 -90.34 -38.92 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 32.2 tttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.481 HG22 ' CE1' ' A' ' 125' ' ' TYR . 65.5 p -106.31 161.66 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -135.09 134.34 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.587 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 9.4 ttt -103.96 125.15 50.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.97 141.3 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -98.24 135.31 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.737 0.779 . . . . 0.0 111.123 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.3 mtp . . . . . 0 CA--C 1.527 0.06 0 CA-C-O 120.709 0.29 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.621 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -140.75 160.81 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.504 HG11 ' HE ' ' A' ' 41' ' ' ARG . 84.0 t -122.71 131.74 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.765 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -122.0 138.83 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 150.26 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.481 ' CE1' HG22 ' A' ' 105' ' ' THR . 14.3 m-85 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 64.6 mt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -38.91 79.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -59.78 -41.36 90.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.14 -37.39 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' A' ' 48' ' ' ARG . 14.5 mt -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.461 HD12 ' CE3' ' A' ' 79' ' ' TRP . 77.6 mt -66.12 -44.02 85.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 85' ' ' LEU . 55.8 m -63.32 -48.24 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -36.69 77.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.4 tp -59.78 -48.5 81.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.693 ' CG1' HD22 ' A' ' 85' ' ' LEU . 87.9 t -67.07 -40.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.78 -52.11 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.568 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 20.2 m-70 -102.89 12.29 36.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' LEU . 5.0 pt-20 39.92 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.7 ttt180 -176.33 131.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.499 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.4 pt -146.61 159.14 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HG3' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -105.42 119.91 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.14 161.26 30.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.691 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.884 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.6 Cg_endo -69.79 167.84 23.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.4 t-105 -59.61 -43.7 93.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.76 97.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 24.9 mmm180 -76.29 -31.29 58.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 45' ' ' PRO . 74.3 t -70.21 -47.02 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.75 -48.17 78.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.621 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.2 ppp? -70.93 -33.74 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 52' ' ' MET . 47.4 ttt180 -57.29 -46.78 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.21 99.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.473 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 48.3 m-85 -68.91 -39.5 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.96 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.18 -49.09 77.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -59.32 -42.58 91.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.23 -45.14 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 ' HZ2' ' A' ' 64' ' ' LYS . 36.1 mm -61.06 -42.1 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -57.02 -44.44 82.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -66.77 -39.29 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.94 -36.31 89.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HZ2' HG22 ' A' ' 60' ' ' ILE . 43.0 mttp -54.77 -30.73 57.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.69 -35.83 81.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.37 160.0 11.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.78 43.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -112.92 -38.21 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -76.78 135.03 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.94 -33.75 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -66.44 -44.68 82.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.82 88.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 14.7 mmt -70.28 -49.15 52.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -63.1 -41.05 99.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.35 -42.75 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.9 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.686 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.5 t70 -71.82 -34.81 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -69.67 -42.49 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.473 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 65.9 m95 -80.86 -48.23 12.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.52 HD11 HD22 ' A' ' 89' ' ' LEU . 94.4 mt -98.37 120.42 38.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -86.06 -39.42 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.68 103.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.6 mmtp -53.84 -14.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.3 t0 -87.86 -32.56 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.767 HD12 HG23 ' A' ' 34' ' ' THR . 29.9 mt -74.4 -31.48 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.4 mt -58.0 -54.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.67 -41.62 4.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.671 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.3 tttt -63.79 -47.54 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.2 tp -54.82 -34.46 62.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -80.71 -23.56 39.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -112.11 16.74 20.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 88' ' ' LYS . 23.1 t -129.64 -69.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 89' ' ' LEU . 42.5 mt -80.01 -40.43 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.31 -56.46 10.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.533 0.682 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.8 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -42.12 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.409 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.6 m-85 -110.16 41.11 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.3 p -108.78 152.79 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -133.18 141.02 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE1' ' CD2' ' A' ' 46' ' ' TRP . 1.6 ttt -111.87 130.1 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 tp -119.48 141.37 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.63 137.97 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 78.9 mmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.716 0.294 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.06 160.33 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 43' ' ' GLU . 83.2 t -119.13 131.35 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.621 HD13 ' SD ' ' A' ' 52' ' ' MET . 16.9 tt -118.47 137.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -151.06 151.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 15.9 m-85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.901 0.381 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 55' ' ' TYR . 15.3 mt -59.02 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -64.24 -42.66 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.07 -32.52 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 48' ' ' ARG . 29.9 mt -68.98 -41.41 77.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.05 -44.89 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.044 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 85' ' ' LEU . 17.5 m -66.92 -48.11 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.24 78.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.722 HD22 ' CE ' ' A' ' 52' ' ' MET . 11.2 tp -59.5 -48.31 82.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.43 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -57.96 -52.21 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.2 m-70 -99.93 9.63 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 37.4 mt-10 39.67 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.3 ttp85 -177.48 131.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.713 HD12 HD22 ' A' ' 32' ' ' LEU . 10.9 pt -146.83 159.16 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.41 118.9 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 159.27 33.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.8 169.91 17.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.1 t-105 -62.04 -33.24 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -43.44 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.7 tpp180 -76.69 -36.43 57.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.442 HG11 ' CE ' ' A' ' 107' ' ' MET . 7.6 t -63.31 -52.53 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.14 -48.86 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.0 -45.96 86.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.722 ' CE ' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -71.16 -33.53 70.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -55.5 -45.52 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.59 -43.26 99.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.721 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 61.3 m-85 -68.89 -44.25 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' ' OH ' ' A' ' 125' ' ' TYR . . . -62.33 -41.49 98.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.85 -49.08 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.13 -39.12 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 80' ' ' LEU . 12.7 tp -61.19 -44.74 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.528 HD13 HD11 ' A' ' 89' ' ' LEU . 35.7 mm -61.98 -42.02 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.32 -42.76 92.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 24.6 m-85 -63.59 -45.76 88.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.99 -35.56 87.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -54.68 -30.9 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.93 -34.55 78.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.87 176.53 21.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.15 40.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 -35.86 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -82.4 117.96 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -55.41 -40.76 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.89 -38.88 87.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.89 86.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.59 -49.07 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 75' ' ' MET . 1.6 ppt_? -67.45 -38.41 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.466 ' N ' ' HD2' ' A' ' 74' ' ' ARG . 8.5 tpt -63.0 -44.63 95.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.25 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.6 t0 -72.11 -37.94 69.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.36 -43.92 89.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.721 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.2 m95 -80.8 -47.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.733 HD11 HD21 ' A' ' 59' ' ' LEU . 29.7 mt -100.32 111.97 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.5 p -75.37 -35.72 61.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.4 mm-40 -53.94 108.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 25.0 mmtp -62.99 -20.47 65.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 4.1 p-10 -88.38 -27.93 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 34' ' ' THR . 17.9 mt -75.24 -33.64 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 77' ' ' ASP . 35.5 mt -57.8 -53.02 70.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.84 -41.24 4.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -64.19 -43.46 95.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 93' ' ' LEU . 13.3 tp -59.64 -34.82 73.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -80.05 -20.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.86 10.49 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.0 t -129.64 -73.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.987 HD12 HD13 ' A' ' 89' ' ' LEU . 31.1 mt -72.45 -41.67 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.78 -56.15 16.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.569 0.7 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.2 Cg_endo -69.79 -41.0 4.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.63 2.22 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -59.68 -38.48 81.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 43.7 m-85 -88.48 -30.93 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.45 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 5.6 m-85 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.1 p -105.89 162.95 13.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -142.57 141.38 31.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.49 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 5.0 ttm -108.5 143.55 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' N ' ' HG2' ' A' ' 107' ' ' MET . 20.9 tp -130.35 133.07 46.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -84.99 136.78 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.5 mmm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.743 0.306 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.98 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.04 123.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.7 tt -114.49 137.17 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 105' ' ' THR . 23.1 m-85 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 86.9 p -94.11 132.82 38.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.834 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -156.13 135.53 12.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.823 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.38 128.66 6.32 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.2 t -172.66 168.52 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -147.14 156.9 43.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.83 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.62 -55.05 2.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.727 ' O ' HD13 ' A' ' 28' ' ' LEU . 1.4 tm? -62.38 -47.27 84.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.359 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -59.99 -40.15 88.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.8 mtm180 -61.29 -42.89 99.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -65.87 -34.17 77.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.25 -44.47 88.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 55.5 mt -63.24 -44.1 96.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.951 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.751 HG23 HD12 ' A' ' 85' ' ' LEU . 30.6 m -66.05 -43.61 86.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.72 -37.46 84.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.672 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -61.64 -48.2 81.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.31 -41.17 86.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -55.88 -51.93 65.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.463 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.1 m-70 -103.08 12.85 35.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 36' ' ' LEU . 70.6 mt-10 40.31 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -175.97 131.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 36' ' ' LEU . 29.0 pt -145.8 159.13 12.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.543 ' OE2' HD11 ' A' ' 110' ' ' ILE . 3.6 tm-20 -109.26 120.79 43.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.599 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.58 161.08 31.45 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.551 0.691 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.888 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.1 Cg_endo -69.83 173.88 10.39 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -61.45 -47.58 85.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.1 -40.5 77.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -76.18 -37.51 57.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.1 t -65.14 -47.35 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.127 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -64.33 -48.66 74.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -64.96 -46.04 83.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.604 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.3 ppp? -70.44 -32.96 70.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 64.6 ttt180 -61.8 -44.8 96.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.25 99.43 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.747 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.2 m-85 -71.97 -43.81 64.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.367 . . . . 0.0 110.916 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.37 95.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.073 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.24 -48.98 77.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.455 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 19.1 tptt -60.62 -39.25 87.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.658 HD21 HD11 ' A' ' 80' ' ' LEU . 26.8 tp -59.66 -44.66 93.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.598 HD13 HD11 ' A' ' 89' ' ' LEU . 41.1 mm -62.08 -42.38 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -57.17 -43.47 82.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.598 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 32.4 m-85 -69.09 -39.8 78.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -35.92 88.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -54.95 -30.77 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.02 -33.52 75.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.05 172.67 19.1 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -80.87 41.45 0.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -111.28 -30.5 7.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.126 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -86.46 131.96 34.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -65.88 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -60.63 -45.5 93.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.84 -40.48 87.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 14.0 mmt -66.22 -49.17 68.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -62.89 -36.89 84.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.598 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 10.5 mtp -65.97 -45.01 83.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.7 83.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.169 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.699 ' HA ' HD11 ' A' ' 86' ' ' ILE . 36.1 t0 -72.06 -36.97 69.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -72.84 -43.72 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.747 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.9 m95 -80.21 -48.1 13.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.658 HD11 HD21 ' A' ' 59' ' ' LEU . 14.7 mt -104.68 124.31 49.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.844 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 74.5 p -83.83 -45.66 13.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -41.7 102.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.438 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtm -58.07 -19.37 31.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 15.4 t70 -89.23 -31.01 18.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.751 HD12 HG23 ' A' ' 34' ' ' THR . 19.9 mt -75.02 -29.81 60.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.699 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.4 mt -59.88 -53.94 60.4 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 111.092 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.6 Cg_endo -69.8 -41.17 4.45 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.32 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' CG ' HG21 ' A' ' 92' ' ' VAL . 26.7 tttp -60.6 -45.99 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.73 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -56.44 -36.43 69.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.555 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -81.05 -19.89 42.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -111.97 13.96 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.472 HG21 ' CG ' ' A' ' 88' ' ' LYS . 33.6 t -131.32 -72.93 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.73 HD12 ' CD1' ' A' ' 89' ' ' LEU . 24.0 mt -76.21 -43.36 42.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.693 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.74 -56.53 8.44 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.606 0.717 . . . . 0.0 111.109 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.693 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.7 Cg_endo -69.83 -35.02 13.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.718 2.279 . . . . 0.0 112.294 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -63.1 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.53 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 38.8 m-85 -88.3 -31.09 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.2 tmtt? -34.32 -44.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -80.09 -45.91 17.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -39.79 158.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 101' ' ' THR . 24.4 m -116.44 40.1 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 120.01 -176.06 16.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 45.87 86.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.517 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.53 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.8 m-85 -95.48 -46.75 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.89 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.737 HG22 ' CD1' ' A' ' 125' ' ' TYR . 69.7 p -106.34 164.91 11.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.137 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 107' ' ' MET . 0.0 OUTLIER -136.32 135.79 39.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.623 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.7 ttt -104.48 134.02 48.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 16.0 tp -122.83 149.2 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -97.91 136.83 37.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.543 HD11 ' OE2' ' A' ' 43' ' ' GLU . 26.0 pt -140.67 151.49 63.44 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.72 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 171.96 13.45 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.746 2.297 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.433 ' OD1' ' HB3' ' A' ' 118' ' ' ALA . 1.3 t30 -110.2 132.86 53.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.2 mtp180 -108.0 39.0 2.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.423 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 7.2 t -118.61 147.75 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.0 tp -41.35 -57.85 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.89 138.09 31.72 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.87 137.45 12.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' A' ' 112' ' ' ASN . . . -145.43 162.47 37.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.71 102.64 11.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.6 mmm -112.93 155.63 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.445 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.64 156.42 41.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.532 ' CG2' HG21 ' A' ' 110' ' ' ILE . 66.7 t -114.29 131.5 66.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.054 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.604 HD13 ' SD ' ' A' ' 52' ' ' MET . 12.2 tt -117.09 139.78 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' OE1' ' ND2' ' A' ' 128' ' ' ASN . 1.2 pp20? -150.72 142.02 23.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.737 ' CD1' HG22 ' A' ' 105' ' ' THR . 9.5 m-85 -72.91 136.33 45.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -64.93 78.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.88 57.8 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.402 ' ND2' ' OE1' ' A' ' 124' ' ' GLU . 2.1 p30 -117.34 169.17 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 98.8 m -116.19 43.75 2.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.5 mt -104.37 149.42 37.33 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.59 0.709 . . . . 0.0 110.962 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.29 56.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.305 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -179.52 2.98 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.655 2.236 . . . . 0.0 112.388 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.533 HD12 ' C ' ' A' ' 133' ' ' LEU . 4.5 pp -142.43 152.35 60.2 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.689 0.757 . . . . 0.0 110.836 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 117.92 5.37 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.721 2.281 . . . . 0.0 112.333 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 135' ' ' LEU . 1.4 pt? -71.55 149.99 93.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.85 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 123.51 10.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.535 2.157 . . . . 0.0 112.424 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 22.5 t -73.67 -58.4 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -47.54 137.96 11.07 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -9.19 25.52 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.2 m -128.32 131.65 48.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 4.3 t -115.13 -60.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.2 m -72.75 97.07 2.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.954 0.407 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.4 p -129.55 177.29 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.795 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.18 -114.09 0.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -79.9 177.71 8.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -61.96 84.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.52 38.9 1.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.9 mt -74.29 -42.7 59.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.944 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.873 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.5 tp -64.64 -45.41 86.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -60.12 -41.59 92.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.6 t-20 -67.91 -32.25 72.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.5 mt -65.11 -44.69 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.3 mt -65.76 -44.28 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.799 HG23 HD12 ' A' ' 85' ' ' LEU . 19.6 m -65.43 -47.25 76.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.93 81.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.505 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.758 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.6 tp -60.0 -47.67 84.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.804 0.335 . . . . 0.0 110.829 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 83.6 t -66.5 -40.47 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.586 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.61 -52.11 64.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.586 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 13.4 m-70 -102.88 11.31 37.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 67.2 mt-10 39.8 25.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.982 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.573 HH21 ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -176.97 130.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.483 ' N ' ' HE ' ' A' ' 41' ' ' ARG . 20.2 pt -146.4 159.7 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.573 ' N ' HH21 ' A' ' 41' ' ' ARG . 18.5 tt0 -102.56 118.81 37.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 160.9 31.24 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.522 0.677 . . . . 0.0 111.123 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.817 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.79 171.26 14.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.683 2.255 . . . . 0.0 112.391 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -62.32 -43.54 98.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.46 96.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.48 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 11.8 mmm-85 -76.41 -34.77 58.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.5 t -64.95 -53.19 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -63.22 -48.43 78.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -57.76 -45.9 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.758 ' HE1' HD22 ' A' ' 36' ' ' LEU . 14.9 ptm -71.0 -33.42 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -56.48 -45.62 80.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.38 -43.57 99.17 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.873 ' CD2' HD21 ' A' ' 29' ' ' LEU . 51.5 m-85 -70.83 -37.4 73.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.895 0.379 . . . . 0.0 110.892 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.91 78.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -62.39 -48.06 81.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.2 tppp? -61.28 -41.31 96.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.843 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -57.51 -46.9 83.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.533 HD13 HD11 ' A' ' 89' ' ' LEU . 37.9 mm -61.76 -40.03 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.137 179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -58.55 -41.49 85.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.437 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 38.3 m-85 -70.14 -40.42 74.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.895 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.46 90.1 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -55.09 -30.55 59.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.98 -33.7 76.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.33 170.34 20.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -81.02 41.98 0.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.93 0.395 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -110.58 -26.28 9.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.131 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -93.33 121.95 35.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.47 -34.85 67.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -63.21 -41.93 99.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.28 -38.09 86.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 79.9 mmm -70.83 -49.04 50.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.52 -39.67 95.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -65.37 -44.66 86.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.01 -37.54 72.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.803 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.9 t70 -72.14 -37.81 69.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -66.44 -43.38 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.588 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.53 -48.04 13.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.843 HD11 HD21 ' A' ' 59' ' ' LEU . 16.3 mt -98.55 117.92 34.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 67.3 p -80.58 -36.67 32.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.473 ' HB2' HD12 ' A' ' 85' ' ' LEU . 12.1 mm-40 -52.64 107.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.469 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 38.2 mmtt -62.43 -22.85 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 10.5 t0 -86.19 -28.24 24.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.799 HD12 HG23 ' A' ' 34' ' ' THR . 17.5 mt -74.37 -34.02 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.803 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.8 mt -56.17 -54.34 53.77 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.649 0.737 . . . . 0.0 111.197 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.77 -41.16 4.5 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.705 2.27 . . . . 0.0 112.373 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.82 -47.5 86.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.663 HD12 ' HB2' ' A' ' 93' ' ' LEU . 13.2 tp -59.43 -34.79 72.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.562 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.7 -19.57 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -111.68 8.98 20.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.805 HG12 HD23 ' A' ' 93' ' ' LEU . 25.0 t -127.37 -73.95 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.805 HD23 HG12 ' A' ' 92' ' ' VAL . 15.7 mt -73.24 -43.51 61.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.691 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.03 -56.34 10.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.596 0.713 . . . . 0.0 111.135 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.691 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.7 Cg_endo -69.84 -36.61 10.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.296 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -62.61 -37.02 84.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.555 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 30.5 m-85 -89.39 -35.47 16.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' TYR . 35.4 tttt -34.0 -46.03 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.68 -46.79 52.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' TYR . 27.1 mt-30 -58.37 160.51 5.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 66.7 p -116.09 39.51 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.216 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 132.7 -174.77 20.32 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 55.45 89.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.555 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.8 m-85 -111.4 -47.77 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.979 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.684 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.1 p -106.05 157.42 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.174 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 20.7 ttp180 -132.22 141.82 49.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -110.82 142.12 43.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.0 tp -135.25 146.89 49.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 4.3 tt0 -95.8 143.06 27.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.642 HD13 HG23 ' A' ' 122' ' ' VAL . 28.3 pt -145.86 151.19 45.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.647 0.737 . . . . 0.0 111.15 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 167.4 24.59 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.722 2.281 . . . . 0.0 112.322 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -83.14 173.66 11.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 114' ' ' SER . 8.5 ttm180 -97.79 168.03 10.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 113' ' ' ARG . 8.1 t -34.85 -46.41 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 116' ' ' ASP . 9.5 tp -49.75 156.35 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 115' ' ' LEU . 85.5 m-20 -34.42 149.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -46.32 141.29 3.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -156.72 146.11 20.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.105 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -85.78 97.35 10.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 85.0 mmm -116.31 147.43 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.441 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -141.43 160.91 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.642 HG23 HD13 ' A' ' 110' ' ' ILE . 96.8 t -115.96 135.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 17.7 tt -122.59 131.0 74.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.05 147.78 27.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.684 ' CE1' HG22 ' A' ' 105' ' ' THR . 46.4 m-85 -70.99 154.98 41.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 39.0 tptt -71.67 80.43 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -169.82 -58.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.521 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -65.5 146.45 54.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.55 43.79 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 86.9 mt -53.46 146.59 23.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.578 0.704 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 169.29 19.18 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.709 2.273 . . . . 0.0 112.35 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 120.85 7.57 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.701 2.267 . . . . 0.0 112.351 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -45.67 143.76 2.91 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.594 0.712 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 118.98 6.01 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.823 ' O ' HD13 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -57.04 147.16 56.84 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.718 . . . . 0.0 110.87 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.61 ' N ' HD22 ' A' ' 135' ' ' LEU . 53.3 Cg_endo -69.83 126.24 13.03 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.74 2.294 . . . . 0.0 112.299 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 t -135.51 137.25 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 158.0 137.35 2.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 125.95 12.73 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.719 2.28 . . . . 0.0 112.326 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 76.3 p -64.45 97.58 0.21 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 41.3 p -131.52 162.79 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.448 179.943 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.58 107.74 2.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.904 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -142.4 121.69 13.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.63 -118.94 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.5 t -162.02 169.77 20.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.82 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 t -108.35 150.83 26.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.94 -47.22 1.11 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.42 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD12 ' C ' ' A' ' 28' ' ' LEU . 3.1 pp -63.72 -40.65 97.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.851 0.358 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.582 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.6 OUTLIER -60.84 -45.27 95.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -60.04 -41.57 92.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.12 -33.58 74.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 32' ' ' LEU . 15.3 mt -63.49 -44.67 93.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.0 mt -66.05 -44.53 84.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 HD12 ' A' ' 85' ' ' LEU . 14.4 m -64.05 -46.83 82.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.42 -36.77 84.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.437 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.684 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.6 tp -59.83 -47.17 86.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 85' ' ' LEU . 72.3 t -66.63 -41.62 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.11 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.723 ' HG2' HD11 ' A' ' 85' ' ' LEU . 0.9 OUTLIER -57.21 -52.22 66.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' ARG . 4.0 m-70 -99.75 10.65 40.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER 38.6 25.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.726 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 39.8 ttt85 -177.91 131.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.477 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.2 pt -146.94 158.3 10.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 32.1 tt0 -107.82 119.91 40.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.98 161.63 29.28 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.581 0.705 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.4 Cg_endo -69.82 173.97 10.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.362 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -61.91 -40.4 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.71 96.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.2 mpt_? -76.39 -43.16 41.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 20.6 t -59.05 -52.98 54.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -62.11 -48.88 78.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.56 ' OE2' HD23 ' A' ' 29' ' ' LEU . 25.4 tt0 -58.32 -45.99 87.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.684 ' HE1' HD22 ' A' ' 36' ' ' LEU . 12.9 ptm -71.23 -33.11 69.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 23.3 ttp180 -55.61 -48.31 75.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.62 99.07 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.523 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 49.2 m-85 -68.56 -37.42 79.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.906 0.384 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.62 84.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -61.84 -49.54 75.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.8 tptt -63.36 -40.53 97.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.31 -52.74 64.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.463 HD13 HD11 ' A' ' 89' ' ' LEU . 36.3 mm -58.39 -38.21 68.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -57.67 -44.09 85.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.401 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 45.1 m-85 -67.21 -40.49 86.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.535 ' HA2' ' CZ ' ' A' ' 90' ' ' PHE . . . -59.99 -35.74 88.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -54.85 -30.7 58.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.297 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.2 -27.52 68.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.61 177.42 29.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -82.4 38.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 39.8 p -110.35 -37.2 5.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.8 m-80 -77.67 112.0 14.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 12.5 pt-20 -53.74 -48.64 69.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -57.79 -40.65 80.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.13 -45.65 83.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.443 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 8.8 mmt -69.39 -38.45 77.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 6.7 mmt180 -56.36 -51.39 68.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.401 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 9.8 ttt -66.98 -45.07 78.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.53 83.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.087 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.762 ' HA ' HD11 ' A' ' 86' ' ' ILE . 17.1 t0 -70.58 -38.78 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -62.8 -41.85 99.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.582 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 66.0 m95 -80.76 -47.77 13.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.6 mt -97.2 111.55 23.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.9 p -82.77 -17.16 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' HB2' HD12 ' A' ' 85' ' ' LEU . 5.2 mm-40 -75.62 98.26 3.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.0 OUTLIER -54.16 -14.56 1.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 29.8 t70 -90.35 -33.49 16.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 38' ' ' ARG . 33.7 mt -75.24 -30.25 60.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 77' ' ' ASP . 24.1 mt -60.08 -53.87 60.89 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.687 0.756 . . . . 0.0 111.151 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.61 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.75 -41.27 4.43 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.366 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.561 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.5 tttt -65.16 -46.51 80.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.811 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -55.98 -35.16 66.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.7 m-85 -78.76 -22.4 46.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -111.89 12.42 20.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.561 HG21 ' CG ' ' A' ' 88' ' ' LYS . 29.0 t -128.13 -71.56 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 HD13 ' A' ' 89' ' ' LEU . 36.0 mt -76.41 -42.69 43.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.68 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.85 -56.2 10.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.542 0.687 . . . . 0.0 111.186 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.68 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.81 -22.89 31.22 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -74.93 -43.27 55.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 98' ' ' LYS . 31.9 m-85 -87.01 -42.36 13.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.965 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 17.9 tptp -33.81 -41.09 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -78.65 -46.63 18.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' TYR . 30.8 mt-30 -53.4 169.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 101' ' ' THR . 11.0 m -114.43 42.56 2.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 116.92 -170.77 13.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 54.57 89.31 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.479 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.418 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.2 m-85 -109.91 -44.28 3.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.954 0.407 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.6 HG22 ' CE1' ' A' ' 125' ' ' TYR . 82.7 p -107.88 161.8 14.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.119 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -134.01 140.13 46.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 1.9 ttt -109.97 131.17 55.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 23.7 tp -122.55 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -93.17 129.73 39.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 34.1 pt -132.24 151.66 78.74 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.61 0.719 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -178.96 2.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.658 2.239 . . . . 0.0 112.372 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.416 ' CG ' ' O ' ' A' ' 118' ' ' ALA . 26.5 m-20 -129.31 -174.82 3.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -71.23 124.26 24.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -40.33 -43.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.797 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 115' ' ' LEU . 4.2 mm? -76.99 -61.97 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.06 113.13 22.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -92.92 101.89 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 112' ' ' ASN . . . -133.29 108.27 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -48.22 103.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.469 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 85.1 mmm -113.16 151.78 30.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.6 156.8 42.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.726 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 93.0 t -118.2 130.11 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.404 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.7 tt -115.63 137.13 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.186 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -149.49 145.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.6 ' CE1' HG22 ' A' ' 105' ' ' THR . 25.5 m-85 -73.99 154.45 39.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -63.99 77.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.85 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -166.32 174.8 41.85 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.452 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -122.69 78.16 1.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 4.1 t -94.27 -41.59 9.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 39.6 mt -98.65 151.83 37.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.621 0.724 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 154.38 67.67 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 169.74 18.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.645 2.23 . . . . 0.0 112.401 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 133' ' ' LEU . 2.8 pp -155.28 154.87 29.25 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.599 0.714 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.88 130.1 18.61 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.619 2.213 . . . . 0.0 112.314 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 10.2 mt -87.67 141.27 31.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 131.12 20.47 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 55.8 m -50.92 125.85 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -159.0 79.59 0.17 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.83 167.7 23.78 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.1 t -63.43 133.64 54.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.8 p -109.11 -47.1 3.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.494 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.3 m -93.95 90.74 6.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.836 0.351 . . . . 0.0 110.82 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 p -76.32 -43.76 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.28 156.24 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.5 m -144.92 169.13 18.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 110.91 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.501 ' O ' HD12 ' A' ' 28' ' ' LEU . 20.0 m -88.05 165.74 14.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 87.54 -54.11 4.39 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.653 ' H ' HD12 ' A' ' 28' ' ' LEU . 4.1 mp -64.29 -45.06 89.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD11 ' OE1' ' A' ' 51' ' ' GLU . 12.2 mt -59.17 -46.78 87.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.507 ' NE ' ' O ' ' A' ' 78' ' ' PHE . 20.4 mtp180 -59.77 -43.75 94.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.772 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -71.37 -32.31 68.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.6 mt -66.47 -45.01 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 37' ' ' VAL . 91.3 mt -65.35 -44.85 86.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.579 HG23 HD12 ' A' ' 85' ' ' LEU . 19.3 m -62.9 -47.85 81.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -66.16 -36.13 91.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.473 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 40' ' ' GLU . 8.4 tp -59.33 -47.76 84.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.806 0.336 . . . . 0.0 110.89 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 33' ' ' LEU . 54.1 t -65.76 -40.22 87.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.0 ttp180 -57.92 -52.72 64.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -102.22 13.6 34.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 36' ' ' LEU . 12.3 mt-10 39.45 25.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' HIS . 16.1 ttt180 -179.44 131.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.594 HD11 ' HE1' ' A' ' 52' ' ' MET . 6.4 pt -146.55 159.69 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 58.2 tt0 -106.45 122.26 45.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.9 161.83 28.78 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.578 0.704 . . . . 0.0 111.127 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.955 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.4 Cg_endo -69.77 173.37 11.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.522 ' CE3' ' HD3' ' A' ' 119' ' ' LYS . 3.8 t-105 -62.3 -39.37 92.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.954 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 48' ' ' ARG . 1.4 mpt_? -76.43 -39.05 54.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.955 HG23 ' O ' ' A' ' 45' ' ' PRO . 92.6 t -62.53 -52.64 57.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -62.38 -48.93 77.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.534 ' OE1' HD11 ' A' ' 29' ' ' LEU . 20.0 tt0 -60.74 -46.07 91.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.594 ' HE1' HD11 ' A' ' 42' ' ' ILE . 16.3 ptm -71.25 -32.88 69.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 31.9 ttp180 -57.21 -47.34 81.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.86 -43.46 99.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.781 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 55.0 m-85 -70.45 -36.18 73.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.874 0.369 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.0 99.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.135 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -66.62 -48.97 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 10.7 tppt? -60.93 -38.3 85.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.483 HD21 HD11 ' A' ' 80' ' ' LEU . 17.6 tp -60.63 -50.28 74.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.592 HD13 HD11 ' A' ' 89' ' ' LEU . 37.1 mm -57.93 -42.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -57.78 -43.97 85.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.549 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 26.6 m-85 -60.93 -45.58 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.443 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.75 -37.13 91.96 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -54.9 -30.05 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.804 0.335 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.4 mt -65.26 -39.13 92.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.72 162.89 9.47 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.525 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 3.9 p30 -84.35 -26.07 28.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -68.16 -27.08 66.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -59.73 119.55 7.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 54.0 mt-10 -64.65 -40.43 95.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt180 -57.73 -45.42 85.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.73 85.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.7 mmt -60.64 -47.99 83.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 70' ' ' GLU . 31.9 mtp180 -62.25 -44.19 97.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.549 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 6.6 tpt -64.2 -45.16 89.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.12 -39.5 82.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.667 ' HA ' HD11 ' A' ' 86' ' ' ILE . 8.9 t70 -72.08 -38.35 69.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.507 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 28.6 t80 -65.76 -42.5 90.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.781 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 76.8 m95 -81.11 -48.13 12.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 89' ' ' LEU . 33.9 mt -97.25 130.92 44.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.0 p -88.79 -42.63 11.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.16 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.532 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -52.97 112.14 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.468 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.5 mmtt -63.48 -22.0 66.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 19.6 m-20 -85.42 -30.84 23.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.579 HD12 HG23 ' A' ' 34' ' ' THR . 24.1 mt -74.4 -30.95 62.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.667 HD11 ' HA ' ' A' ' 77' ' ' ASP . 33.5 mt -57.22 -54.59 53.17 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 111.159 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.71 -41.27 4.49 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.359 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.749 ' CG ' HG21 ' A' ' 92' ' ' VAL . 39.7 tttt -61.09 -44.66 97.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.665 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.3 tp -54.88 -34.27 62.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.604 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.2 m-85 -80.66 -23.58 39.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -112.38 17.42 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 88' ' ' LYS . 20.4 t -130.34 -68.59 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 89' ' ' LEU . 47.8 mt -82.57 -40.7 20.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.84 -56.86 7.88 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.587 0.708 . . . . 0.0 111.078 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.72 -36.16 11.43 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.0 ttm-85 -65.29 -32.39 74.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.4 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 50.2 m-85 -95.83 -31.38 13.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.972 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -37.74 -43.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.41 -46.15 64.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -61.47 165.65 4.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 101' ' ' THR . 10.6 m -128.6 41.4 3.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.173 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 138.13 -178.81 18.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 51.91 89.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.4 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 4.7 m-85 -113.89 -41.69 3.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.027 0.441 . . . . 0.0 110.976 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -114.78 163.34 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -139.67 141.97 36.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.642 ' HG3' HG11 ' A' ' 49' ' ' VAL . 3.2 ttt -111.43 132.1 54.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.756 HD12 ' H ' ' A' ' 109' ' ' GLN . 22.7 tp -117.32 152.49 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.756 ' H ' HD12 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -104.5 132.52 50.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 122' ' ' VAL . 16.0 pt -141.61 152.76 64.06 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.599 0.714 . . . . 0.0 111.127 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.8 169.55 18.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.337 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 14.1 p-10 -104.65 117.83 35.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -89.24 -40.89 12.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.957 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m -46.98 161.58 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -66.2 -61.44 2.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -64.95 154.9 36.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 48.3 ttt-85 -71.47 129.97 40.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -161.14 115.14 2.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.522 ' HD3' ' CE3' ' A' ' 46' ' ' TRP . 23.2 ttmt -66.92 82.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.1 OUTLIER -72.38 149.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.651 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -148.54 160.41 43.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.09 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 110' ' ' ILE . 73.8 t -119.51 123.87 71.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.494 HG21 ' SD ' ' A' ' 52' ' ' MET . 14.6 tt -114.27 134.63 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -149.86 148.23 28.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 127' ' ' GLY . 24.2 m-85 -69.14 155.01 41.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' GLY . 4.1 tppp? -60.42 75.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . 40.32 93.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.487 ' ND2' ' HB3' ' A' ' 125' ' ' TYR . 2.5 m-80 -112.44 -55.08 2.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . 0.487 ' N ' ' OE2' ' A' ' 40' ' ' GLU . 9.1 t -122.08 -43.25 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 23.9 mt -70.16 152.04 95.81 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.546 0.688 . . . . 0.0 110.908 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 144.85 55.21 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.642 2.228 . . . . 0.0 112.338 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.79 67.41 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.725 2.283 . . . . 0.0 112.344 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.9 mt -127.67 138.76 33.53 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.607 0.718 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 118.03 5.44 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.705 2.27 . . . . 0.0 112.272 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.0 pp -81.88 142.4 48.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.626 0.727 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 -49.55 0.55 Allowed 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.666 2.244 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.5 p -171.56 142.08 1.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 147.72 95.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.34 7.14 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.2 t -99.67 -48.22 4.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.9 t -167.28 167.92 13.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.501 -179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.455 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 36.0 m -98.92 42.1 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.7 m -109.15 83.05 1.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.05 -157.9 45.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.8 m -70.3 169.36 13.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.95 0.405 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m 64.01 42.92 5.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.68 -49.05 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 22' ' ' SER . 75.9 mt -76.13 -43.15 44.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 55' ' ' TYR . 79.0 mt -61.11 -43.08 99.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.687 HH21 HG22 ' A' ' 81' ' ' THR . 23.4 mtp180 -59.9 -42.49 93.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -68.21 -34.48 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 HD11 ' HE ' ' A' ' 48' ' ' ARG . 24.4 mt -62.78 -45.9 90.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.443 ' CD1' ' CE3' ' A' ' 79' ' ' TRP . 46.9 mt -65.22 -44.5 88.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.599 HG23 HD12 ' A' ' 85' ' ' LEU . 8.1 m -65.9 -44.18 86.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.68 80.84 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.525 HD22 ' HE1' ' A' ' 52' ' ' MET . 8.7 tp -61.09 -48.62 80.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.961 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.04 -40.72 86.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -57.67 -52.04 67.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.0 m-70 -101.8 13.09 35.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 36' ' ' LEU . 20.4 mt-10 39.85 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 40.8 ttt180 -177.66 131.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 9.3 pt -143.32 159.04 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -110.72 118.81 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.601 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 161.29 30.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.61 0.719 . . . . 0.0 111.15 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.601 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.0 Cg_endo -69.75 172.89 11.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.674 2.25 . . . . 0.0 112.377 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -61.82 -39.52 92.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.953 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.06 -41.98 99.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.584 ' HE ' HD11 ' A' ' 32' ' ' LEU . 22.2 mmm-85 -76.29 -37.73 57.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 45' ' ' PRO . 47.4 t -65.55 -46.92 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -64.27 -48.71 74.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -65.01 -46.22 82.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.797 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.64 -32.71 70.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 38.1 ttt180 -61.24 -44.43 97.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.7 -43.38 99.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.797 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 58.4 m-85 -69.47 -36.86 76.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.71 -41.65 87.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -63.01 -48.98 76.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -60.48 -40.56 91.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 13.6 tp -59.0 -43.45 91.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.617 HD13 HD11 ' A' ' 89' ' ' LEU . 36.2 mm -63.12 -42.09 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -57.19 -44.81 83.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.15 -41.89 96.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.947 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.81 -35.93 88.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -55.93 -30.74 62.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.5 mt -65.75 -32.09 73.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.26 166.93 21.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -80.42 42.52 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -112.67 -21.57 11.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -97.88 123.73 41.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -55.73 -36.82 67.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -61.5 -40.66 95.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.52 -41.43 88.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 71.2 mmm -68.54 -49.24 61.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -63.24 -39.67 95.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.21 -42.76 88.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.61 -36.9 70.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.704 ' HA ' HD11 ' A' ' 86' ' ' ILE . 33.8 t0 -71.95 -35.32 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.495 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 41.3 t80 -68.84 -44.03 74.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.797 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.6 m95 -81.18 -48.31 12.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 52.3 mt -97.23 104.84 16.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.687 HG22 HH21 ' A' ' 30' ' ' ARG . 32.6 p -69.25 -35.2 75.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.469 ' HB2' HD12 ' A' ' 85' ' ' LEU . 10.1 mm-40 -57.02 110.41 0.81 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.452 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 30.6 mmtt -62.91 -24.99 68.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.433 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 17.9 t0 -82.78 -31.1 28.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.599 HD12 HG23 ' A' ' 34' ' ' THR . 19.2 mt -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.704 HD11 ' HA ' ' A' ' 77' ' ' ASP . 22.8 mt -55.24 -55.4 39.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.612 0.72 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.571 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.8 Cg_endo -69.82 -41.17 4.43 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.658 2.238 . . . . 0.0 112.326 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG2' HG21 ' A' ' 92' ' ' VAL . 11.0 ttpt -60.92 -47.87 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.963 HD13 HD12 ' A' ' 93' ' ' LEU . 13.0 tp -56.85 -34.76 68.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -81.27 -18.94 44.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 17.3 mm-40 -110.6 10.04 22.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.507 HG21 ' HG2' ' A' ' 88' ' ' LYS . 66.2 t -132.63 -74.75 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.963 HD12 HD13 ' A' ' 89' ' ' LEU . 30.0 mt -68.5 -40.64 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.702 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -52.0 -56.83 18.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.604 0.716 . . . . 0.0 111.124 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.81 -39.89 5.89 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.664 2.242 . . . . 0.0 112.366 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -59.21 -47.94 83.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' HB3' ' CD1' ' A' ' 104' ' ' TYR . 56.7 m-85 -97.36 37.09 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -90.95 -47.48 7.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -68.34 -44.58 74.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -57.33 164.65 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.2 m -133.65 46.81 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 131.54 122.73 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 112.32 79.99 1.0 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.409 ' CD1' ' HB3' ' A' ' 97' ' ' TYR . 5.7 m-85 -108.56 -44.87 3.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.978 0.418 . . . . 0.0 110.931 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 70.9 p -106.31 160.45 15.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -132.56 140.72 48.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.4 ttt -105.77 136.82 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.1 tp -128.97 147.54 50.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -102.98 121.41 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 19.9 pt -122.68 141.8 36.08 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.616 0.722 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.46 1.5 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.657 2.238 . . . . 0.0 112.373 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.481 ' CB ' ' HB3' ' A' ' 117' ' ' ARG . 1.1 m-80 -132.62 164.65 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -39.9 -57.41 1.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 115' ' ' LEU . 65.6 m -92.67 154.88 18.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 43.6 mt -34.32 -62.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -126.21 63.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.481 ' HB3' ' CB ' ' A' ' 112' ' ' ASN . 49.5 ttt180 -63.58 -56.59 14.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.74 170.87 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -84.29 92.31 7.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 89.8 mmm -104.74 153.09 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.97 160.3 44.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.405 HG11 ' HE ' ' A' ' 41' ' ' ARG . 83.6 t -124.85 131.95 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.797 HD13 ' SD ' ' A' ' 52' ' ' MET . 18.8 tt -119.81 133.13 67.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.68 154.92 38.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -79.17 136.12 37.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 127' ' ' GLY . 20.3 mttp -39.32 -65.92 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 126' ' ' LYS . . . 34.73 -109.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.536 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -120.0 179.33 4.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.823 0.344 . . . . 0.0 110.846 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 46.9 t -82.34 90.94 6.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 33.6 mt -58.75 151.62 52.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.858 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.401 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 53.9 Cg_endo -69.82 121.65 8.32 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.313 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 54.7 Cg_endo -69.74 134.04 27.07 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.387 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 45.7 mt -63.03 118.1 39.33 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.539 0.685 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 153.16 68.93 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.715 2.276 . . . . 0.0 112.312 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.8 mp -41.92 160.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.575 0.703 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 2.12 3.86 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.666 2.244 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.7 t -115.82 173.6 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -41.98 135.42 3.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.475 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.66 3.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.7 t -101.01 153.69 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 54.9 p -100.63 -54.37 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.0 p -163.12 135.84 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.4 m -65.31 -52.42 54.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 57.71 109.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.4 t -97.83 41.08 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 42.6 t -70.72 -48.16 55.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.59 41.09 0.25 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.81 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -77.62 -48.1 17.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 0.0 110.919 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.01 HD12 ' CZ3' ' A' ' 79' ' ' TRP . 0.4 OUTLIER -59.0 -46.65 87.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -63.96 -42.92 97.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -69.46 -31.02 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 42' ' ' ILE . 31.4 mt -70.12 -41.89 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD12 ' CE3' ' A' ' 79' ' ' TRP . 82.8 mt -65.59 -44.75 85.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.735 HG23 HD12 ' A' ' 85' ' ' LEU . 8.9 m -65.82 -48.12 72.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.57 -36.19 76.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD22 ' HE1' ' A' ' 52' ' ' MET . 9.8 tp -59.41 -48.12 82.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 110.885 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.7 t -66.89 -40.58 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -57.26 -52.38 65.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.0 m-70 -100.23 9.53 42.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.786 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' LEU . 30.6 mt-10 39.53 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' HIS . 27.7 ttp180 -178.0 130.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.491 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 5.1 pt -147.91 160.29 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -105.05 119.16 38.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.54 30.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.777 ' O ' HG23 ' A' ' 49' ' ' VAL . 52.7 Cg_endo -69.86 170.75 15.96 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.611 2.207 . . . . 0.0 112.277 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.455 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 8.0 t-105 -61.09 -42.82 99.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.35 -42.68 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.065 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.1 mmt85 -76.62 -34.87 58.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 45' ' ' PRO . 54.1 t -66.1 -51.9 54.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.37 -48.6 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.09 -45.51 92.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.738 ' HE1' HD22 ' A' ' 36' ' ' LEU . 21.2 ptm -70.67 -33.04 70.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' NH2' ' HB2' ' A' ' 107' ' ' MET . 14.5 ttm180 -58.5 -46.6 86.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.838 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.72 -43.21 99.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.681 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 56.2 m-85 -69.99 -40.1 75.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.88 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.81 84.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -60.87 -48.86 79.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -62.22 -40.12 95.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.408 HD21 HD11 ' A' ' 80' ' ' LEU . 34.4 tp -58.09 -48.64 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.672 HD13 HD11 ' A' ' 89' ' ' LEU . 45.8 mm -60.19 -41.97 88.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -56.36 -42.79 78.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 28.3 m-85 -70.53 -38.09 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.09 82.91 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HE3' HG22 ' A' ' 60' ' ' ILE . 62.2 mttt -53.65 -31.22 46.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.929 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.463 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 15.0 mt -66.21 -32.89 74.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.51 176.91 21.29 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.526 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.44 39.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.841 0.353 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -115.0 -27.13 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.102 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 16.5 m-80 -82.4 133.52 35.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.83 -48.0 73.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.9 mmt-85 -57.88 -39.38 77.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.43 87.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 15.5 mmt -70.18 -49.3 51.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -59.13 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 13.8 mtp -58.91 -43.53 91.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.58 -37.0 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.168 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.594 ' HA ' HD11 ' A' ' 86' ' ' ILE . 34.9 t0 -72.0 -41.78 67.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -72.4 -43.44 63.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 1.01 ' CZ3' HD12 ' A' ' 29' ' ' LEU . 22.4 m95 -76.35 -47.59 22.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.624 HD11 HD22 ' A' ' 89' ' ' LEU . 33.4 mt -108.65 112.96 25.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.006 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.3 p -77.68 -33.01 53.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.509 ' HB2' HD12 ' A' ' 85' ' ' LEU . 9.7 mm-40 -57.39 112.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 9.5 mmpt? -63.13 -20.42 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.2 m-20 -88.3 -28.1 21.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.735 HD12 HG23 ' A' ' 34' ' ' THR . 19.4 mt -75.22 -33.2 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.602 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 30.3 mt -58.18 -53.68 63.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.19 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.4 Cg_endo -69.84 -41.05 4.51 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.625 2.216 . . . . 0.0 112.336 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.505 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -63.67 -48.05 78.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.875 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.88 -34.77 65.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.3 m-85 -80.83 -19.78 43.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -111.66 11.95 21.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 93' ' ' LEU . 14.3 t -131.33 -74.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.875 HD12 ' CD1' ' A' ' 89' ' ' LEU . 27.6 mt -72.56 -41.9 65.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.696 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.96 -56.32 14.13 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.635 0.731 . . . . 0.0 111.133 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.696 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.77 -34.15 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.643 2.229 . . . . 0.0 112.382 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -64.74 -39.6 93.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -103.57 39.33 1.62 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -80.58 -38.79 28.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.2 p-10 -86.36 -45.02 11.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 99' ' ' ASP . 32.3 mt-30 -34.2 132.61 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.2 p -115.44 35.81 4.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.161 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 136.02 122.85 2.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 97.76 82.2 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -101.34 -39.51 7.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.405 HG22 ' CD1' ' A' ' 125' ' ' TYR . 80.4 p -106.01 165.64 11.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.41 ' CD ' ' HB2' ' A' ' 126' ' ' LYS . 35.7 mtp180 -127.19 140.77 52.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.455 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 6.4 ttt -105.63 125.7 51.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 35.8 tp -114.99 143.25 45.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.816 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -99.67 140.17 34.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.529 HD13 HG23 ' A' ' 122' ' ' VAL . 48.0 pt -141.9 151.94 60.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.147 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.32 12.83 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -117.8 118.92 33.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -97.24 -42.65 7.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.2 m -42.76 142.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.9 mt -48.05 -51.82 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.978 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -77.2 119.23 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -56.77 142.48 40.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -165.71 136.35 3.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -68.13 83.98 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.1 mmt -79.94 141.1 36.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.442 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.42 156.32 40.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.139 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.529 HG23 HD13 ' A' ' 110' ' ' ILE . 79.5 t -117.63 134.93 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 36' ' ' LEU . 16.9 tt -117.66 137.03 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -145.27 154.37 42.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.405 ' CD1' HG22 ' A' ' 105' ' ' THR . 8.8 m-85 -84.78 124.1 31.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.41 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . 21.5 ttmt -72.06 79.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -159.28 -42.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -108.11 160.76 15.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 17.9 t -107.15 95.62 5.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 37.7 mt -79.32 157.23 75.6 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.652 0.739 . . . . 0.0 110.85 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 169.76 18.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.665 2.244 . . . . 0.0 112.368 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 175.32 8.21 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.724 2.283 . . . . 0.0 112.359 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.592 HD12 ' C ' ' A' ' 133' ' ' LEU . 3.7 pp -134.54 151.88 76.82 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.644 0.735 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 126.79 13.73 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.717 2.278 . . . . 0.0 112.338 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.636 ' H ' HD23 ' A' ' 135' ' ' LEU . 1.6 pt? -83.86 151.48 61.02 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.648 0.737 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 172.55 12.42 Favored 'Trans proline' 0 C--N 1.34 0.124 0 C-N-CA 122.709 2.272 . . . . 0.0 112.355 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 27.1 t -88.07 -46.6 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.54 157.99 28.48 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 165.68 30.26 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 97.6 p -74.79 95.22 2.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 88.9 p -119.04 151.96 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.807 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.448 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.9 m -127.52 -43.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.819 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.1 m -61.42 -48.44 81.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.98 -174.52 25.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.7 m -95.76 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.828 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.6 p -174.87 137.27 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.834 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.38 -37.84 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.682 ' H ' HD12 ' A' ' 28' ' ' LEU . 3.7 mp -64.77 -42.34 95.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 55' ' ' TYR . 2.4 tt -59.21 -48.06 83.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -60.57 -39.78 89.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.31 -34.63 77.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 42' ' ' ILE . 21.0 mt -65.44 -45.97 81.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.95 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.77 -44.98 94.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.684 HG23 HD12 ' A' ' 85' ' ' LEU . 16.8 m -67.65 -44.99 76.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.104 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.21 -36.56 79.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -61.28 -48.42 81.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.3 t -66.9 -40.78 86.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.97 -52.31 64.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' ARG . 15.9 m-70 -102.63 11.52 37.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.808 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.0 mp0 39.99 25.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 39' ' ' HIS . 48.0 ttt180 -176.9 131.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.552 HD12 HD22 ' A' ' 32' ' ' LEU . 16.7 pt -146.64 159.21 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 35.4 tt0 -106.55 120.61 42.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.09 160.91 31.23 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.573 0.701 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.603 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.77 170.26 16.99 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.609 2.206 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 11.5 t-105 -62.22 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.18 -40.39 93.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.043 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.478 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 15.5 mmm-85 -76.52 -38.45 55.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.58 HG11 ' HG3' ' A' ' 107' ' ' MET . 29.4 t -63.06 -49.55 83.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -63.93 -49.15 73.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -61.88 -46.92 87.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.455 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.0 ppp? -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.828 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -58.04 -42.46 85.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -44.0 98.55 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.5 m-85 -67.17 -43.89 81.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.941 0.401 . . . . 0.0 110.961 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.26 91.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -60.99 -49.25 78.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 tptt -59.56 -42.15 91.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 80' ' ' LEU . 41.4 tp -56.04 -49.19 74.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.415 HG22 ' HE3' ' A' ' 64' ' ' LYS . 45.2 mm -59.15 -39.81 79.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.69 -45.18 81.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -66.24 -39.23 89.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.23 -34.96 86.65 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HE3' HG22 ' A' ' 60' ' ' ILE . 47.7 mttt -53.63 -30.08 41.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.827 0.346 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.8 mt -65.04 -36.87 85.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.98 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 111.67 168.43 18.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.514 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.0 p-10 -79.55 43.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.901 0.381 . . . . 0.0 110.804 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 71.3 p -116.29 -36.82 3.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -77.29 125.17 28.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.816 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.1 -43.85 82.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -57.16 -40.65 77.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -39.17 88.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.07 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.415 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 3.6 mmt -68.22 -49.43 60.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -63.96 -44.94 91.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 6.9 tpt -58.7 -44.66 90.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.29 -36.39 74.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.088 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.746 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.4 t70 -72.42 -34.73 68.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -70.15 -44.09 69.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 88.8 m95 -80.99 -47.17 14.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.938 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.677 HD11 HD22 ' A' ' 89' ' ' LEU . 22.4 mt -97.64 109.41 22.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 71.7 p -72.4 -38.25 68.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' HB2' HD12 ' A' ' 85' ' ' LEU . 6.1 mm-40 -55.78 107.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 32.4 mmtp -61.15 -22.84 65.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.434 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.7 t0 -83.7 -30.65 26.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.684 HD12 HG23 ' A' ' 34' ' ' THR . 21.3 mt -73.38 -31.63 64.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.746 HD11 ' HA ' ' A' ' 77' ' ' ASP . 30.3 mt -55.62 -55.12 43.92 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 111.185 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.567 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.78 -41.51 4.19 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.485 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.81 -45.04 95.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.83 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.6 tp -59.04 -34.99 72.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.528 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.7 m-85 -81.29 -19.42 42.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -111.49 11.98 21.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.485 HG21 ' HG2' ' A' ' 88' ' ' LYS . 39.2 t -130.79 -73.91 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.83 HD12 ' CD1' ' A' ' 89' ' ' LEU . 41.4 mt -72.94 -44.91 60.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.93 -56.64 8.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.644 0.735 . . . . 0.0 111.11 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.3 Cg_endo -69.77 -25.88 28.09 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.618 2.212 . . . . 0.0 112.358 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -69.88 -42.18 73.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -110.12 39.07 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.976 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -74.81 -53.63 8.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 100' ' ' GLN . 3.7 p30 -80.66 -43.47 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 99' ' ' ASP . 5.1 mm100 -34.9 140.15 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.975 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.7 p -111.4 36.42 3.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.07 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 133.12 167.02 11.59 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 65.98 85.18 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -119.88 -40.44 2.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.954 0.407 . . . . 0.0 110.908 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.617 HG22 ' CE1' ' A' ' 125' ' ' TYR . 47.8 p -105.92 145.03 31.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -116.02 139.22 50.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.58 ' HG3' HG11 ' A' ' 49' ' ' VAL . 2.6 ttm -104.56 125.95 51.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 43.3 tp -112.48 144.6 41.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 10.4 tm0? -104.34 136.05 44.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt -144.05 150.35 48.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.65 0.738 . . . . 0.0 111.18 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.66 -174.81 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.772 2.315 . . . . 0.0 112.348 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -112.69 117.04 31.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -89.95 40.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.1 m -142.98 153.72 43.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.16 -60.5 3.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.52 112.16 2.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 117' ' ' ARG . 12.8 mtp-105 -59.42 144.97 45.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.828 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -166.63 161.94 16.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.152 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.9 ttmt -93.05 97.04 10.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.45 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 88.4 mmm -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . -150.33 160.63 43.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.125 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 99.3 t -119.88 132.27 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.455 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.5 tt -112.97 137.4 46.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -151.11 142.63 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.617 ' CE1' HG22 ' A' ' 105' ' ' THR . 27.0 m-85 -70.66 152.41 43.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.4 mmtp -37.6 -50.2 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -47.73 118.31 4.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 32.9 p-10 -82.42 43.09 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 11.5 m -44.39 -53.32 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.8 154.59 58.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 148.18 64.23 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.399 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 167.98 22.82 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.404 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -83.45 154.87 66.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.887 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 172.56 12.47 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.279 . . . . 0.0 112.314 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 136' ' ' PRO . 4.4 pp -84.39 153.23 62.01 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.461 ' O ' HD12 ' A' ' 135' ' ' LEU . 54.0 Cg_endo -69.68 -171.79 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.343 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 71.0 m -56.98 -56.96 14.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 151.99 -160.69 28.98 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 1.74 4.18 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 23.6 t -57.54 139.68 52.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 90.3 p -95.74 119.96 35.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.44 -179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.539 -0.225 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.1 m 58.03 42.47 22.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.7 p -154.6 143.41 20.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.808 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.59 -92.9 1.55 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.2 m -88.06 42.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.0 p -47.82 -43.41 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.82 47.27 91.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.445 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.4 mt -70.8 -43.67 68.19 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.33 -47.43 86.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -59.69 -43.12 94.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -67.44 -32.03 72.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD22 HD12 ' A' ' 42' ' ' ILE . 27.6 mt -63.61 -46.21 86.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.456 HD12 ' CE3' ' A' ' 79' ' ' TRP . 31.1 mt -65.34 -44.59 87.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.681 HG23 HD12 ' A' ' 85' ' ' LEU . 29.2 m -65.23 -44.65 87.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.07 -36.83 81.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 ' HA ' HG23 ' A' ' 42' ' ' ILE . 9.9 tp -60.28 -48.29 82.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.811 0.339 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 85.3 t -66.41 -40.61 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -57.95 -52.24 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.4 m-70 -101.57 13.29 35.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 8.6 mt-10 39.75 24.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.8 ttt180 -176.71 131.52 0.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.698 HG23 ' HA ' ' A' ' 36' ' ' LEU . 31.2 pt -145.74 159.36 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 48.4 tt0 -113.76 123.48 49.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.777 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.08 160.91 31.24 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.631 0.729 . . . . 0.0 111.084 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.771 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.2 Cg_endo -69.78 174.24 9.82 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.296 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -62.33 -40.14 95.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.96 -43.56 98.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.421 ' HE ' ' CG ' ' A' ' 45' ' ' PRO . 0.1 OUTLIER -76.71 -36.32 57.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 45' ' ' PRO . 55.1 t -63.16 -50.19 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.089 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.72 -47.75 79.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.55 -46.5 88.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.687 ' HE3' HD11 ' A' ' 42' ' ' ILE . 2.6 ppp? -70.93 -33.53 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -57.45 -48.96 77.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.82 -43.57 99.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.467 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.666 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 43.4 m-85 -67.97 -39.21 83.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.894 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -42.27 99.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.72 -49.2 77.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.785 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 5.8 tppt? -60.47 -38.33 83.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.592 HD21 HD11 ' A' ' 80' ' ' LEU . 21.3 tp -58.54 -49.16 78.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.452 HG21 ' CD1' ' A' ' 104' ' ' TYR . 39.8 mm -61.1 -38.56 79.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -59.05 -42.47 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 45.2 m-85 -71.1 -41.2 70.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.54 -40.56 96.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.418 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 7.8 mtpm? -54.67 -29.61 53.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.864 0.364 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.99 -34.01 77.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.62 170.83 22.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 67' ' ' ASP . 49.6 t0 -78.69 43.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.0 t -111.98 -35.61 5.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.14 121.72 29.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -56.4 -37.89 70.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 46.5 mtm-85 -58.2 -40.92 82.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.02 -43.21 83.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 75.7 mmm -64.49 -49.64 70.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 15.8 ptt180 -62.8 -43.13 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.43 ' CE ' ' NE1' ' A' ' 79' ' ' TRP . 7.4 tpt -62.64 -42.92 99.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.04 -37.91 78.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.05 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.685 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t70 -72.32 -37.61 68.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -67.87 -42.58 81.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.666 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 77.8 m95 -80.92 -48.19 12.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.592 HD11 HD21 ' A' ' 59' ' ' LEU . 31.4 mt -101.57 104.56 15.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.6 p -68.88 -38.0 79.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.412 ' HB2' HD12 ' A' ' 85' ' ' LEU . 7.0 mm-40 -52.83 110.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.473 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 20.1 mmtp -64.03 -17.69 63.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.5 t70 -88.5 -31.56 18.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.681 HD12 HG23 ' A' ' 34' ' ' THR . 24.5 mt -75.22 -32.2 61.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.685 HD11 ' HA ' ' A' ' 77' ' ' ASP . 52.3 mt -57.41 -53.53 64.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.139 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.79 -41.41 4.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.741 2.294 . . . . 0.0 112.335 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.609 ' CG ' HG21 ' A' ' 92' ' ' VAL . 37.2 tttt -63.66 -44.36 94.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.816 ' CD1' HD12 ' A' ' 93' ' ' LEU . 10.3 tp -55.65 -35.14 65.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.5 m-85 -81.14 -21.74 39.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -112.01 15.47 20.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.609 HG21 ' CG ' ' A' ' 88' ' ' LYS . 41.5 t -134.2 -69.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.816 HD12 ' CD1' ' A' ' 89' ' ' LEU . 39.9 mt -76.83 -45.7 27.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.659 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -44.53 -55.59 9.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.617 0.722 . . . . 0.0 111.077 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.659 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.7 -23.27 31.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.676 2.25 . . . . 0.0 112.375 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ttp180 -73.67 -48.05 35.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 36.0 m-85 -103.64 40.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -75.8 -46.03 32.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 100' ' ' GLN . 9.6 t70 -81.38 -41.07 22.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 99' ' ' ASP . 6.3 mm100 -35.72 142.62 0.07 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.472 HG22 ' O ' ' A' ' 101' ' ' THR . 9.8 m -120.74 41.65 3.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 127.79 122.43 2.51 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 107.32 83.28 1.56 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.452 ' CD1' HG21 ' A' ' 60' ' ' ILE . 5.6 m-85 -104.59 -42.77 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.994 0.426 . . . . 0.0 110.939 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 74.2 p -106.28 158.76 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -119.19 134.01 55.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.812 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.448 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.6 ttt -105.91 122.23 45.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 55.7 tp -114.51 148.5 37.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.62 128.54 49.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 HG23 ' A' ' 122' ' ' VAL . 21.5 pt -130.97 151.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.51 12.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.243 . . . . 0.0 112.324 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -73.69 172.1 12.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -120.09 -52.23 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 m -82.83 163.64 21.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.825 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 116' ' ' ASP . 4.0 pp -44.75 -43.83 8.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.564 ' N ' HD12 ' A' ' 115' ' ' LEU . 3.9 t0 -68.18 127.43 32.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 51.0 mmm-85 -71.87 89.28 1.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.25 140.12 35.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -78.86 104.44 9.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.416 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 79.8 mmm -118.08 152.56 35.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.851 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.486 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -147.63 156.43 42.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.425 HG23 HD13 ' A' ' 110' ' ' ILE . 77.8 t -116.05 130.49 70.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.535 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.7 tt -117.71 141.09 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.202 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -150.89 143.83 24.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -67.09 149.8 50.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -83.4 78.24 9.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -139.61 175.45 21.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -97.23 77.45 2.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . 0.405 ' CB ' ' OE1' ' A' ' 40' ' ' GLU . 43.9 t -134.48 -57.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 73.6 mt -94.04 153.08 40.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.591 0.71 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 53.3 Cg_endo -69.86 110.3 2.54 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 54.0 Cg_endo -69.7 177.0 5.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.348 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.5 pp -142.16 152.32 61.01 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 108.84 2.17 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.697 2.264 . . . . 0.0 112.294 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.4 pp -56.94 150.35 39.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 168.63 20.94 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.5 m -146.31 116.59 7.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 98.46 166.39 31.01 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.512 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 93.74 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.7 m -90.8 86.7 6.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 40.4 t -60.68 115.22 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.552 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -72.26 169.88 15.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.8 p -95.3 149.16 21.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.73 165.97 39.69 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.478 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 67.1 m -125.38 97.02 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -105.42 -51.68 2.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.31 89.14 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.535 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -60.75 -36.52 79.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.854 HD21 ' CD2' ' A' ' 55' ' ' TYR . 9.1 tp -65.41 -47.01 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.6 mtt85 -62.26 -37.14 84.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -66.94 -36.77 82.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.697 HD11 ' HG2' ' A' ' 48' ' ' ARG . 17.7 mt -65.2 -44.51 88.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.46 -44.51 96.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.968 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.592 HG23 HD12 ' A' ' 85' ' ' LEU . 22.0 m -65.65 -46.89 77.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.178 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.92 -36.21 81.09 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.506 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.542 HD22 ' HE1' ' A' ' 52' ' ' MET . 11.0 tp -59.8 -48.11 83.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.429 HG22 ' CE2' ' A' ' 125' ' ' TYR . 99.0 t -66.36 -40.48 86.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -59.07 -52.33 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' ARG . 16.9 m-70 -98.59 8.91 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 36' ' ' LEU . 91.5 mt-10 39.61 24.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.856 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' HIS . 22.9 ttp85 -178.1 131.67 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 7.3 pt -146.1 159.37 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -105.0 118.77 37.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.32 161.02 30.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.808 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.74 170.62 16.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.362 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.408 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.9 t-105 -62.27 -42.7 99.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -58.71 -43.31 90.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.697 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.1 tpp85 -76.68 -37.55 55.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 45' ' ' PRO . 53.6 t -61.67 -51.28 74.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -63.85 -48.84 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -60.22 -46.6 89.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.542 ' HE1' HD22 ' A' ' 36' ' ' LEU . 2.5 ppp? -71.43 -32.82 68.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' N ' ' HG3' ' A' ' 52' ' ' MET . 19.1 ttp180 -57.99 -44.5 87.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.74 -43.33 99.39 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.565 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.854 ' CD2' HD21 ' A' ' 29' ' ' LEU . 49.9 m-85 -69.73 -42.47 73.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.921 0.391 . . . . 0.0 110.933 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.31 96.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.179 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.49 -49.16 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -58.99 -39.23 81.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 80' ' ' LEU . 47.2 tp -60.2 -48.04 83.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.411 HD13 HD11 ' A' ' 89' ' ' LEU . 31.4 mm -58.5 -42.27 84.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.117 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -58.89 -42.08 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -63.56 -44.9 92.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.77 -35.73 87.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.56 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -55.33 -30.86 61.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.0 mt -65.94 -37.28 85.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 135.22 169.53 11.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.472 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.7 p30 -84.75 -22.19 29.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.0 t -67.52 -32.32 73.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -56.82 117.32 3.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -58.05 -42.65 85.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -59.73 -44.19 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.62 -42.7 91.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.8 -48.9 78.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -66.22 -38.73 88.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -66.55 -45.24 80.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.18 -38.33 75.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.732 ' HA ' HD11 ' A' ' 86' ' ' ILE . 24.5 t70 -72.14 -38.51 69.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -68.5 -43.34 77.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.656 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.9 m95 -80.25 -47.98 13.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.925 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 59' ' ' LEU . 13.5 mt -99.32 125.01 44.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.2 p -85.86 -34.26 21.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.481 ' HB2' HD12 ' A' ' 85' ' ' LEU . 16.9 mm-40 -55.54 110.35 0.69 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.453 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 49.3 mmtt -64.76 -20.7 66.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.427 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 33.3 t70 -87.63 -31.78 19.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 34' ' ' THR . 26.8 mt -73.84 -31.04 63.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.732 HD11 ' HA ' ' A' ' 77' ' ' ASP . 17.5 mt -57.79 -55.08 48.64 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.586 0.708 . . . . 0.0 111.11 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.582 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.7 Cg_endo -69.8 -40.7 4.95 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.744 2.296 . . . . 0.0 112.293 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HE2' HG11 ' A' ' 92' ' ' VAL . 3.9 tmtt? -62.78 -45.93 90.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.929 HD13 HD12 ' A' ' 93' ' ' LEU . 13.7 tp -57.22 -35.13 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.486 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -81.3 -19.86 42.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -110.28 11.0 23.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.527 HG11 ' HE2' ' A' ' 88' ' ' LYS . 20.8 t -131.99 -72.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.929 HD12 HD13 ' A' ' 89' ' ' LEU . 40.7 mt -70.52 -45.01 66.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.701 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.94 -56.86 10.5 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.537 0.684 . . . . 0.0 111.078 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.701 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.1 Cg_endo -69.74 -40.17 5.68 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.648 2.232 . . . . 0.0 112.37 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -58.19 -39.75 79.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.541 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 31.7 m-85 -87.15 -43.19 12.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.984 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' TYR . 19.8 tttm -34.7 -42.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.907 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.48 -49.28 22.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -51.04 176.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.923 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 62.5 p -128.09 39.18 3.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.32 177.16 14.89 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 61.13 90.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.541 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 3.7 m-85 -107.91 -49.77 3.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.7 p -106.34 154.48 20.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -127.82 139.65 52.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.488 ' HE2' HG11 ' A' ' 49' ' ' VAL . 6.9 ttt -107.2 135.44 48.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 36.8 tp -125.3 142.73 51.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -98.08 137.38 36.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 20.0 pt -137.91 151.03 69.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.575 0.702 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 166.65 26.86 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -48.51 172.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -129.87 -55.81 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.3 p -115.36 -57.32 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.827 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.411 ' HB3' ' HB2' ' A' ' 118' ' ' ALA . 28.7 tp -63.26 156.32 25.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.992 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.8 -44.07 61.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 117' ' ' ARG . 0.6 OUTLIER -124.38 87.53 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.411 ' HB2' ' HB3' ' A' ' 115' ' ' LEU . . . -133.4 154.9 50.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -114.5 89.62 3.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 79.1 mmm -97.42 155.85 16.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -147.75 161.13 41.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 76.1 t -125.37 132.37 71.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.42 HD13 ' SD ' ' A' ' 52' ' ' MET . 17.0 tt -116.5 140.08 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -149.94 145.4 26.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.567 ' CE1' HG22 ' A' ' 105' ' ' THR . 12.0 m-85 -73.19 129.48 38.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 125' ' ' TYR . 7.8 tmtm? -35.73 -50.35 0.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -85.77 85.82 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.525 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -129.22 170.28 13.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 25.6 p -111.39 -40.77 4.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 16.6 mt -43.74 150.04 0.59 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.544 0.687 . . . . 0.0 110.962 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 147.88 63.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.334 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.49 14.38 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.725 2.283 . . . . 0.0 112.343 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.5 mt -116.09 144.08 32.18 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 163.61 37.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.6 mp -85.19 150.63 55.34 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 152.89 69.33 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.1 t -44.73 -56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.816 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 156.9 85.69 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.42 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -34.73 13.9 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.673 2.249 . . . . 0.0 112.308 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.8 m 49.21 42.92 22.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 58.6 m -118.76 -43.99 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -155.96 176.14 13.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.6 m -64.37 -39.65 94.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.802 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.0 65.02 2.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.411 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -119.14 -50.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -90.93 155.29 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.46 156.52 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.51 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 28' ' ' LEU . 7.3 tt -64.39 -46.11 84.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.881 0.372 . . . . 0.0 110.943 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.05 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.7 mtt85 -59.91 -42.83 94.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -65.53 -38.64 90.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 32' ' ' LEU . 28.9 mt -60.3 -45.43 93.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.55 -44.65 95.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.669 HG23 ' CD1' ' A' ' 85' ' ' LEU . 22.9 m -65.55 -45.25 84.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.22 -36.91 80.48 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.1 tp -59.97 -48.18 82.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 110.963 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.44 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -55.93 -52.28 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.484 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.5 m-70 -102.96 12.43 36.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.828 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' LEU . 9.5 mt-10 39.62 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' HIS . 54.3 ttt-85 -177.1 131.53 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.403 HG23 ' HA ' ' A' ' 36' ' ' LEU . 18.6 pt -146.8 159.23 10.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -106.78 119.74 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.15 161.35 30.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.539 0.685 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.896 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.3 Cg_endo -69.7 171.62 14.07 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.672 2.248 . . . . 0.0 112.441 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.41 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 2.0 t-105 -62.54 -34.55 77.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.935 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.1 -43.66 91.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.98 -37.03 48.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 45' ' ' PRO . 95.7 t -62.27 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -63.81 -48.92 74.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.836 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -58.2 -45.54 87.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.518 ' SD ' HG21 ' A' ' 123' ' ' ILE . 12.5 ptm -70.63 -32.96 70.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 49' ' ' VAL . 27.8 ttt180 -56.0 -47.31 77.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.52 -43.34 99.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.586 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 59.0 m-85 -69.32 -38.15 78.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.76 -41.75 82.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.91 -48.39 82.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 2.9 tppt? -64.13 -38.63 91.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 80' ' ' LEU . 18.5 tp -59.57 -47.37 85.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.571 HD13 HD11 ' A' ' 89' ' ' LEU . 40.1 mm -61.73 -42.08 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -57.24 -41.58 79.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 57.1 m-85 -65.94 -44.19 85.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.98 -35.77 88.2 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.408 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.6 mtmp? -56.33 -30.63 62.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.1 mt -65.64 -34.37 78.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.39 169.01 19.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.25 42.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.361 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.2 t -109.54 -35.35 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 36.1 m-20 -86.85 121.63 29.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 8.4 pt-20 -57.75 -34.89 70.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.445 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 1.3 tmm_? -61.96 -41.66 98.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.0 86.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 84.3 mmm -69.6 -49.63 52.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 71' ' ' ARG . 34.3 ptt85 -61.44 -41.72 97.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -64.35 -42.6 96.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.57 -38.01 77.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.678 ' HA ' HD11 ' A' ' 86' ' ' ILE . 38.7 t0 -71.37 -34.27 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -68.46 -43.38 77.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.586 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.3 m95 -81.17 -48.14 12.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 HD11 HD22 ' A' ' 89' ' ' LEU . 67.5 mt -94.4 113.14 24.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.8 p -79.93 -29.37 39.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.102 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.793 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.1 mt-10 -64.45 108.49 1.66 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 26.7 mmtp -61.45 -17.68 55.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 8.4 t70 -88.96 -29.27 19.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD12 ' HB2' ' A' ' 82' ' ' GLU . 30.8 mt -75.42 -33.18 60.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 77' ' ' ASP . 55.8 mt -58.05 -53.21 68.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 0.0 111.136 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.3 Cg_endo -69.77 -41.29 4.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.62 2.213 . . . . 0.0 112.401 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.514 ' HG2' HG21 ' A' ' 92' ' ' VAL . 9.9 ttpp -63.82 -48.16 77.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.0 tp -55.74 -35.39 66.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.549 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 5.6 m-85 -81.19 -20.71 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -112.05 12.57 20.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.738 HG12 HD23 ' A' ' 93' ' ' LEU . 30.2 t -131.37 -73.93 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.738 HD23 HG12 ' A' ' 92' ' ' VAL . 16.3 mt -73.67 -41.53 62.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.697 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.0 -56.5 13.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.573 0.702 . . . . 0.0 111.093 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.697 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.2 Cg_endo -69.76 -23.65 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.355 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -74.79 -41.05 60.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.833 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.57 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 55.0 m-85 -88.37 -38.84 14.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 26.3 tttp -33.37 -38.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.957 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' TYR . 44.0 t0 -82.96 -46.56 12.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 97' ' ' TYR . 21.2 mt-30 -51.92 175.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 101' ' ' THR . 18.7 m -127.18 40.78 3.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 123.13 -165.96 15.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 50.91 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.57 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 12.5 m-85 -99.01 -68.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.036 0.446 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.36 16.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.201 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -121.87 142.03 50.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.52 ' HE2' HG11 ' A' ' 49' ' ' VAL . 2.1 ttt -108.55 127.1 53.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 24.6 tp -115.27 145.32 42.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -98.92 126.42 44.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 40.7 pt -119.46 152.0 52.28 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.545 0.688 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 107.66 1.9 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.83 42.61 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -118.5 41.93 2.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 m -96.6 -49.24 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.472 ' HG ' ' N ' ' A' ' 116' ' ' ASP . 1.2 pt? -125.48 -37.42 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.472 ' N ' ' HG ' ' A' ' 115' ' ' LEU . 71.1 m-20 -149.69 154.05 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.5 mtm180 -85.32 87.42 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.12 127.23 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.8 ttmt -53.59 95.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 81.3 mmm -109.89 150.26 28.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.757 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.0 157.21 43.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 73.1 t -116.32 123.91 71.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.518 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.4 tt -117.34 131.4 70.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -147.83 155.97 42.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -83.67 142.05 31.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -78.43 82.01 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.08 40.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.528 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 40' ' ' GLU . 2.6 p30 -164.93 132.97 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 19.2 p -101.75 78.03 1.79 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 67.0 mt -76.07 151.67 84.01 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 147.74 64.02 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.715 2.277 . . . . 0.0 112.35 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 133.24 25.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.462 ' O ' HD12 ' A' ' 133' ' ' LEU . 4.3 pp -58.61 148.61 65.91 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.65 0.738 . . . . 0.0 110.925 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 145.83 57.86 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.697 2.264 . . . . 0.0 112.305 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.54 134.87 88.96 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.632 0.729 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 95.16 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.366 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 58.6 m -85.51 129.39 34.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -175.66 143.48 6.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 143.23 50.09 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 18.0 m 47.3 43.17 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 30.9 m 59.17 42.4 18.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.539 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.4 p -109.24 94.41 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 m 58.13 43.08 21.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.44 104.33 0.89 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 m 59.88 42.97 15.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.833 0.349 . . . . 0.0 110.888 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 27' ' ' GLY . 58.2 m -108.74 94.13 4.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 26' ' ' SER . . . 34.42 42.49 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.6 tp -75.98 -44.13 41.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.874 0.369 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.99 -46.25 88.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -63.76 -43.67 95.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -69.84 -31.64 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.5 mt -70.73 -41.01 72.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.6 mt -66.47 -45.21 80.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.687 HG23 HD12 ' A' ' 85' ' ' LEU . 21.4 m -64.92 -46.48 81.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.93 -36.23 81.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HE1' ' A' ' 52' ' ' MET . 6.6 tp -59.18 -48.41 81.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.6 t -66.44 -40.66 87.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' HE ' ' CE1' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -61.31 -51.98 66.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 41' ' ' ARG . 30.9 m-70 -95.62 6.96 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.1 mm-40 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' HIS . 30.4 ttm180 -179.57 131.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HD11 ' HE1' ' A' ' 52' ' ' MET . 7.6 pt -146.83 159.42 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -112.38 121.0 43.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.598 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.93 161.16 30.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.58 0.705 . . . . 0.0 111.146 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.9 Cg_endo -69.75 163.29 38.81 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.647 2.231 . . . . 0.0 112.325 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 4.2 t-105 -52.25 -31.28 31.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.97 82.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.469 ' O ' ' CG ' ' A' ' 52' ' ' MET . 0.0 OUTLIER -77.23 -35.37 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.9 t -66.43 -47.65 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -64.79 -48.2 75.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -65.88 -46.21 79.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 123' ' ' ILE . 3.4 ppp? -70.86 -32.83 69.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 49' ' ' VAL . 27.6 ttm-85 -60.75 -47.1 87.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.73 -42.87 99.81 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.517 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -69.13 -39.07 79.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.864 0.364 . . . . 0.0 110.923 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.62 -41.85 87.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -60.91 -49.07 78.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -64.14 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.1 tp -58.4 -45.46 88.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 89' ' ' LEU . 34.8 mm -62.47 -41.86 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.493 ' HA ' ' HZ1' ' A' ' 64' ' ' LYS . 6.1 t70 -56.76 -42.63 79.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.603 ' CE2' ' SD ' ' A' ' 75' ' ' MET . 27.7 m-85 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.91 -35.38 86.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.538 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.493 ' HZ1' ' HA ' ' A' ' 61' ' ' ASP . 24.6 mtmm -54.64 -30.79 56.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.723 0.297 . . . . 0.0 110.809 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD13 HD22 ' A' ' 69' ' ' ASN . 30.4 mt -65.83 -34.18 77.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.69 176.21 19.64 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -82.03 39.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.8 t -115.77 -27.42 7.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.461 HD22 HD13 ' A' ' 65' ' ' LEU . 4.0 t-20 -81.34 127.67 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 71' ' ' ARG . 11.0 pt-20 -63.36 -41.79 98.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 12.1 tpp85 -62.93 -44.95 94.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.834 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.491 ' CB ' ' HB3' ' A' ' 62' ' ' TYR . . . -66.63 -46.89 74.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.435 ' HE3' ' CE2' ' A' ' 90' ' ' PHE . 9.0 mmt -61.41 -47.9 83.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 75' ' ' MET . 9.8 ptp180 -63.64 -37.05 85.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 62' ' ' TYR . 14.6 mtp -65.87 -45.19 83.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.42 -38.04 80.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.773 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.1 t70 -72.44 -37.79 68.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.21 -40.76 58.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 67.1 m95 -80.06 -44.88 19.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -104.61 116.55 32.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 59.5 p -79.17 -19.87 49.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.621 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.5 mt-10 -70.81 96.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 7.9 mmmm -53.0 -24.64 9.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.431 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 18.4 t70 -83.2 -28.97 28.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.687 HD12 HG23 ' A' ' 34' ' ' THR . 20.3 mt -73.92 -29.73 62.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 77' ' ' ASP . 37.2 mt -57.67 -55.03 49.06 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.631 0.729 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.1 Cg_endo -69.82 -41.48 4.17 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.323 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' CD ' HG21 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -61.79 -48.2 81.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 179.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.954 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.9 tp -61.01 -34.91 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.6 m-85 -79.85 -19.85 47.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -111.56 10.05 21.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG12 HD23 ' A' ' 93' ' ' LEU . 48.2 t -128.89 -73.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.954 HD12 ' CD1' ' A' ' 89' ' ' LEU . 36.6 mt -69.55 -40.35 76.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.694 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -51.85 -56.67 19.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.542 0.687 . . . . 0.0 111.126 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.694 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.8 Cg_endo -69.78 -24.83 29.15 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 96' ' ' ARG . 7.1 tpm_? -74.91 -35.14 62.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.552 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 44.2 m-85 -91.78 -39.54 11.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' TYR . 11.1 ttmm -34.36 -39.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -76.32 -47.83 22.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 97' ' ' TYR . 14.1 mt-30 -60.8 148.9 37.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.6 p -101.59 40.14 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 130.63 -174.86 19.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 58.92 89.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.487 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.552 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 -112.01 -49.5 2.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 125' ' ' TYR . 80.8 p -106.05 155.89 18.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.4 tpt180 -125.72 139.69 53.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.4 ttt -106.7 122.0 45.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.2 tp -117.04 141.33 48.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -100.81 142.85 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 28.5 pt -140.87 152.22 64.91 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.72 . . . . 0.0 111.084 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 157.4 60.47 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.718 2.278 . . . . 0.0 112.346 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -119.09 98.49 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.3 mmm-85 -101.05 76.84 1.77 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 57.7 m -145.3 162.04 38.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.28 -49.48 75.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.991 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -96.23 111.05 23.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 12.9 mtm-85 -49.28 119.85 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.796 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.07 133.71 39.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -76.22 90.26 3.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.495 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -92.74 147.9 22.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -151.07 161.03 43.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.118 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.0 t -125.95 132.43 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.733 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -120.5 141.23 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.112 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 124' ' ' GLU . 7.3 mp0 -146.02 154.75 42.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 105' ' ' THR . 6.7 m-85 -85.02 147.63 26.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -68.25 79.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.949 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -148.81 -168.69 14.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -129.74 38.27 3.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 3.2 t -73.05 -51.25 18.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 71.3 mt -110.4 151.58 42.76 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.69 18.28 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.61 2.207 . . . . 0.0 112.425 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.11 32.06 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -45.19 141.45 3.35 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.558 0.694 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 173.95 10.25 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -45.38 145.05 2.08 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.615 0.722 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 120.78 7.5 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.696 2.264 . . . . 0.0 112.335 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 20.3 m -67.84 -47.94 67.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -132.89 -166.13 11.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.72 170.8 15.68 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.617 2.211 . . . . 0.0 112.389 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.9 m -88.45 42.19 1.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 11.4 t -96.2 157.28 15.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.412 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.0 p -117.35 118.4 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.9 p -134.95 166.83 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.3 171.49 17.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -151.85 177.3 10.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.932 0.396 . . . . 0.0 110.811 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 t -63.43 169.48 3.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.15 -48.38 3.91 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.62 -42.95 99.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.745 HD21 ' CD2' ' A' ' 55' ' ' TYR . 10.0 tp -61.41 -46.76 88.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -60.01 -42.98 95.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -67.15 -31.94 72.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.799 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.5 mt -65.36 -43.73 89.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.06 -44.44 84.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.659 HG21 ' OE2' ' A' ' 82' ' ' GLU . 11.8 m -65.08 -45.15 86.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.97 -36.8 82.28 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.602 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 ' HA ' HG23 ' A' ' 42' ' ' ILE . 6.5 tp -60.31 -47.91 84.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 110.982 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.35 -40.22 86.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD2' ' NE2' ' A' ' 39' ' ' HIS . 46.9 ttm-85 -55.49 -52.27 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.568 ' O ' HD11 ' A' ' 130' ' ' LEU . 14.7 m-70 -104.42 13.6 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 57.4 mt-10 39.78 24.95 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 1.5 tmm_? -177.29 131.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.949 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.601 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.79 159.25 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.59 121.51 43.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.623 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.1 161.34 30.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.572 0.701 . . . . 0.0 111.127 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.71 171.4 14.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.321 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.574 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.4 t-105 -62.27 -42.12 99.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.98 99.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.477 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 5.0 mmp_? -76.74 -33.72 58.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 45' ' ' PRO . 19.8 t -64.95 -53.11 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.35 -48.73 76.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -58.25 -45.6 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.479 ' SD ' HG21 ' A' ' 123' ' ' ILE . 16.3 ptm -70.77 -32.94 70.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -56.52 -46.17 80.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.55 -43.6 99.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.745 ' CD2' HD21 ' A' ' 29' ' ' LEU . 50.6 m-85 -69.97 -38.75 76.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.988 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.06 -41.7 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.17 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.9 -49.29 76.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.824 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 1.5 tppp? -59.65 -38.21 80.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.94 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.785 HD21 HD11 ' A' ' 80' ' ' LEU . 62.4 tp -60.38 -47.74 84.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 36.7 mm -59.13 -42.33 86.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.1 -40.05 84.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 25.6 m-85 -68.06 -43.7 78.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.53 88.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.2 mtmm -54.44 -29.68 50.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.781 0.324 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -64.75 -40.08 94.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.942 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 131.8 175.16 13.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.453 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.49 -17.63 47.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.373 . . . . 0.0 110.808 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.2 p -82.8 23.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.826 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . 2.1 t-20 -105.57 121.56 44.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -66.43 -48.33 70.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' CG ' ' OD1' ' A' ' 69' ' ' ASN . 9.2 ptp180 -63.29 -42.82 99.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.826 ' HB3' ' HB3' ' A' ' 69' ' ' ASN . . . -66.99 -42.1 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.6 mmt -61.26 -49.1 78.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 75' ' ' MET . 23.9 ptt180 -64.68 -39.74 94.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.469 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 7.0 tpt -67.18 -45.06 78.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.33 -39.13 78.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.847 ' HA ' HD11 ' A' ' 86' ' ' ILE . 14.1 t0 -72.27 -41.0 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -63.59 -44.05 95.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.521 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.5 m95 -80.63 -48.2 12.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.785 HD11 HD21 ' A' ' 59' ' ' LEU . 15.5 mt -98.29 114.64 27.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 81.8 p -79.01 -24.63 43.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.659 ' OE2' HG21 ' A' ' 34' ' ' THR . 0.2 OUTLIER -66.17 96.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 8.5 mmmm -54.76 -16.03 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.451 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.4 OUTLIER -87.04 -34.27 19.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.522 HD12 ' HB2' ' A' ' 82' ' ' GLU . 32.8 mt -74.2 -28.19 61.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.847 HD11 ' HA ' ' A' ' 77' ' ' ASP . 39.7 mt -58.66 -54.59 54.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.674 0.75 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.593 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.6 Cg_endo -69.83 -41.32 4.29 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -64.14 -48.43 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.862 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.995 ' CD1' HD12 ' A' ' 93' ' ' LEU . 11.8 tp -56.71 -34.44 67.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -80.97 -19.92 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -111.76 12.37 21.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.538 HG21 ' HG2' ' A' ' 88' ' ' LYS . 55.1 t -133.18 -72.3 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.995 HD12 ' CD1' ' A' ' 89' ' ' LEU . 22.9 mt -66.37 -44.29 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.714 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -50.62 -57.16 14.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.715 . . . . 0.0 111.169 179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.714 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.4 Cg_endo -69.68 -26.64 27.73 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -75.08 -33.09 61.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' LYS . 44.4 m-85 -91.84 -37.38 12.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 97' ' ' TYR . 14.4 tttp -33.98 -40.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -82.51 -45.79 14.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.431 ' NE2' ' HD3' ' A' ' 126' ' ' LYS . 5.2 mm100 -39.05 154.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 101' ' ' THR . 14.5 t -109.08 39.01 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 113.89 -176.1 16.87 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.441 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 49.18 89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.566 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -98.52 -44.56 6.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.963 0.411 . . . . 0.0 110.895 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.0 p -106.09 164.7 11.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.119 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -138.58 137.66 37.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.574 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 2.0 ttt -105.5 133.01 50.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 18.4 tp -127.01 142.17 51.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -101.11 135.19 42.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.7 pt -126.76 145.52 53.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.544 0.688 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -174.93 1.01 Allowed 'Trans proline' 0 C--N 1.34 0.12 0 C-N-CA 122.707 2.271 . . . . 0.0 112.309 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -147.33 163.36 36.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.447 ' HB3' ' CB ' ' A' ' 116' ' ' ASP . 15.9 ttm180 -44.12 166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.2 t -58.06 -60.32 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 17.4 tp -96.27 46.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' CB ' ' HB3' ' A' ' 113' ' ' ARG . 32.3 t70 -133.97 80.74 1.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.4 mtt180 -67.93 85.79 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -125.55 174.25 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -133.35 19.04 3.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.9 mtp -42.84 152.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -148.78 161.01 42.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 82.8 t -114.11 125.12 71.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.479 HG21 ' SD ' ' A' ' 52' ' ' MET . 18.6 tt -117.7 132.19 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -146.61 158.51 43.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.549 ' CE1' HG22 ' A' ' 105' ' ' THR . 38.8 m-85 -78.81 132.32 36.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.431 ' HD3' ' NE2' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -37.82 -37.49 0.24 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -98.16 55.49 1.12 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -96.34 141.82 29.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.83 0.348 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 64.0 m -128.15 89.15 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 39' ' ' HIS . 93.1 mt -129.03 153.6 80.31 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.602 0.715 . . . . 0.0 110.959 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.456 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 53.9 Cg_endo -69.75 111.67 2.87 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.357 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 54.2 Cg_endo -69.72 141.16 44.66 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.632 2.221 . . . . 0.0 112.399 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 133' ' ' LEU . 1.8 pp -116.12 152.67 48.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.602 0.715 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 104.93 1.39 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 tp -115.8 116.07 40.95 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.551 0.691 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 92.79 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.709 2.273 . . . . 0.0 112.309 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.2 p -98.32 -35.68 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 43.03 -155.02 0.16 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.519 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 100.52 0.82 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.677 2.251 . . . . 0.0 112.394 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.8 m -130.87 121.43 25.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.6 p -97.6 132.33 43.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.499 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -46.51 131.59 10.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.888 0.375 . . . . 0.0 110.89 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.8 p -167.9 143.65 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.73 -39.86 0.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.4 m -39.22 -59.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.915 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 27' ' ' GLY . 1.4 t -130.27 152.62 49.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' SER . . . 37.94 58.93 1.48 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.455 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 29' ' ' LEU . 4.0 pp -67.0 -39.84 87.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 28' ' ' LEU . 10.9 mt -59.87 -47.84 84.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt180 -60.89 -41.99 97.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -65.86 -35.61 81.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 66.1 mt -64.93 -45.28 86.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 mt -62.13 -44.67 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.5 m -64.6 -48.61 74.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.09 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.55 -36.18 87.82 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 40' ' ' GLU . 9.2 tp -59.41 -46.79 87.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.7 t -66.06 -40.51 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -55.88 -52.13 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -102.75 11.53 37.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 21.7 mt-10 40.14 25.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' HIS . 20.2 ttp85 -177.73 131.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.899 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 13.8 pt -147.28 159.46 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HG2' ' CE ' ' A' ' 120' ' ' MET . 37.5 tt0 -102.95 120.78 41.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.604 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.7 160.78 31.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.604 0.716 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.949 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.5 Cg_endo -69.77 171.84 13.73 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.655 2.236 . . . . 0.0 112.369 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 6.7 t-105 -62.36 -45.39 93.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.78 85.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.052 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 16.6 mmp_? -76.82 -32.86 57.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.792 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.949 HG23 ' O ' ' A' ' 45' ' ' PRO . 62.2 t -65.93 -52.72 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.089 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -63.44 -48.64 76.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -58.8 -46.04 88.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.5 ' HE1' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -70.84 -33.26 70.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttp85 -56.33 -48.69 76.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.53 -43.48 99.25 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.777 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 47.8 m-85 -68.41 -38.28 81.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.984 0.421 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -40.41 82.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.43 -48.95 78.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -61.15 -41.39 96.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.865 HD21 HD11 ' A' ' 80' ' ' LEU . 22.7 tp -56.42 -48.42 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.606 HD13 HD11 ' A' ' 89' ' ' LEU . 45.7 mm -61.57 -39.72 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.115 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.17 -41.36 79.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.841 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -68.37 -41.17 80.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.551 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.6 -36.59 90.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -54.82 -30.28 56.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.859 0.362 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 24.3 mt -65.66 -40.62 92.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.7 165.53 10.34 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.515 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 8.4 p-10 -81.23 -28.98 34.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.927 0.394 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.3 t -64.1 -28.91 70.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.461 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 9.3 m-20 -55.47 114.93 2.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -61.7 -48.01 82.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -57.65 -44.96 86.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.39 -37.82 88.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.9 mmt -63.46 -49.19 74.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.947 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -57.11 -47.82 80.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -61.22 -39.06 88.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.6 -38.99 74.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.541 ' HA ' HD11 ' A' ' 86' ' ' ILE . 12.9 t0 -72.29 -39.49 68.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.32 -44.45 94.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.777 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 78.4 m95 -81.35 -47.43 13.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.865 HD11 HD21 ' A' ' 59' ' ' LEU . 20.3 mt -102.32 129.03 48.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 64.1 p -87.88 -52.27 5.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -39.68 111.11 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 0.2 OUTLIER -65.0 -18.81 65.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.42 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 2.9 p-10 -88.42 -32.66 18.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.794 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 25.6 mt -74.38 -30.12 61.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.589 ' N ' ' HD2' ' A' ' 87' ' ' PRO . 23.9 mt -58.82 -55.01 50.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.625 0.726 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.589 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 52.5 Cg_endo -69.85 -41.06 4.49 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.672 2.248 . . . . 0.0 112.275 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -59.77 -45.28 92.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.891 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.8 tp -57.55 -34.97 69.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.551 ' CE2' ' HA2' ' A' ' 63' ' ' GLY . 8.8 m-85 -81.32 -19.12 43.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -111.65 11.42 21.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 93' ' ' LEU . 23.8 t -131.1 -73.1 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.891 HD12 ' CD1' ' A' ' 89' ' ' LEU . 54.2 mt -72.6 -43.89 62.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.685 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.89 -56.42 11.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.135 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.685 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.3 Cg_endo -69.81 -35.08 13.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.643 2.229 . . . . 0.0 112.293 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -62.46 -43.71 98.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 59.4 m-85 -86.21 -37.53 18.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.4 OUTLIER -34.14 -41.52 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -80.38 -45.24 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' NE2' ' CD1' ' A' ' 97' ' ' TYR . 27.8 mt-30 -49.28 171.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 101' ' ' THR . 9.5 m -118.54 41.22 3.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 118.77 -170.71 13.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 56.95 89.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.572 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 6.3 m-85 -105.81 -47.28 3.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.013 0.435 . . . . 0.0 110.978 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.7 p -111.59 151.03 29.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.177 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 106' ' ' ARG . 3.9 tpp85 -121.68 136.38 54.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.547 ' HE3' HG11 ' A' ' 49' ' ' VAL . 5.7 ttt -106.45 120.33 41.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 25.0 tp -115.84 146.49 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.59 138.35 41.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.425 HD13 ' CG2' ' A' ' 122' ' ' VAL . 29.8 pt -136.39 146.84 57.64 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.6 0.714 . . . . 0.0 111.135 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.4 2.89 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.647 2.231 . . . . 0.0 112.36 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -144.43 173.72 11.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? -60.78 136.76 58.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.4 t -55.24 -50.36 69.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 mt -65.94 -63.91 0.98 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -68.46 86.49 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -72.89 118.07 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -160.51 166.52 28.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -110.57 104.91 13.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.477 ' CE ' ' HG2' ' A' ' 43' ' ' GLU . 84.3 mmm -120.22 149.8 41.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.601 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -143.1 160.98 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.064 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.425 ' CG2' HD13 ' A' ' 110' ' ' ILE . 88.8 t -114.87 129.31 71.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.468 HG21 ' SD ' ' A' ' 52' ' ' MET . 20.0 tt -116.69 131.67 68.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.171 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -148.73 147.9 29.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -71.2 152.48 43.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -80.27 82.55 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 152.11 80.23 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -170.16 135.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 18.5 p -84.07 33.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 52.5 mt -61.7 153.85 69.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.42 53.89 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.669 2.246 . . . . 0.0 112.427 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 139.21 39.84 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.749 2.299 . . . . 0.0 112.288 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -80.15 143.61 57.06 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.566 0.698 . . . . 0.0 110.973 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 113.0 3.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.9 mp -67.43 153.06 95.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.656 0.741 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.61 137.36 35.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.694 2.263 . . . . 0.0 112.386 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 m 61.19 43.46 10.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -139.71 176.96 20.84 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.05 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.639 2.226 . . . . 0.0 112.313 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.4 m -168.8 140.96 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.8 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 81.0 p -118.77 152.16 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.888 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.459 -179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 55.6 p -113.02 -37.76 4.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.5 t -125.18 -62.88 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.85 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -163.44 -141.54 3.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.0 m -75.38 94.8 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.5 p -84.28 -43.76 14.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.22 46.8 1.65 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 27.6 mt -77.01 -40.37 46.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 ' HG2' ' A' ' 51' ' ' GLU . 4.3 mm? -63.44 -48.54 77.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.94 -37.34 87.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -67.12 -33.9 76.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.5 mt -72.24 -45.71 59.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.76 -44.52 90.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.969 HG23 HD12 ' A' ' 85' ' ' LEU . 91.4 m -64.37 -45.28 88.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.82 -36.81 83.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.439 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.568 HD22 ' HE1' ' A' ' 52' ' ' MET . 10.6 tp -59.86 -48.25 82.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.884 0.373 . . . . 0.0 110.915 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 90.2 t -66.64 -40.27 85.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -55.43 -52.33 63.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.9 m-70 -104.77 14.06 30.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 36' ' ' LEU . 63.4 mt-10 39.49 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 38.0 ttm180 -177.76 131.5 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 36' ' ' LEU . 8.0 pt -146.79 159.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -108.83 119.62 40.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.62 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -149.97 161.37 31.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.62 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 53.1 Cg_endo -69.75 167.19 25.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.635 2.224 . . . . 0.0 112.332 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -57.12 -36.47 70.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.9 97.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -76.5 -36.52 57.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 107' ' ' MET . 27.0 t -63.07 -50.71 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.33 -47.27 82.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HG2' HD21 ' A' ' 29' ' ' LEU . 3.3 tp10 -62.05 -46.09 90.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.726 ' SD ' HD13 ' A' ' 123' ' ' ILE . 1.8 ppp? -70.97 -33.02 70.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 52' ' ' MET . 27.1 mtm180 -57.56 -50.12 74.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.92 -43.73 98.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.584 ' CE1' ' CZ2' ' A' ' 79' ' ' TRP . 20.1 m-85 -67.22 -38.84 85.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.859 0.361 . . . . 0.0 110.945 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.82 98.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -62.05 -49.07 77.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -60.46 -44.41 95.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.811 HD21 HD11 ' A' ' 80' ' ' LEU . 30.6 tp -54.63 -46.55 73.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.58 HD13 HD11 ' A' ' 89' ' ' LEU . 36.5 mm -62.51 -38.66 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -56.85 -44.62 82.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 53.5 m-85 -69.14 -39.32 78.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.02 -35.67 87.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.487 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 38.9 mttp -54.51 -30.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.63 -32.61 74.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.926 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.07 175.9 25.51 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.47 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -81.78 39.78 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.358 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.8 t -109.24 -38.36 5.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -80.1 114.78 19.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 10.2 pt-20 -53.87 -48.36 70.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.1 ttm-85 -56.99 -42.71 80.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.11 83.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.677 ' HE2' ' CZ ' ' A' ' 90' ' ' PHE . 16.0 mmt -66.92 -40.02 87.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 22.9 mmm-85 -55.79 -51.21 68.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -60.78 -45.59 93.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.7 -40.34 96.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.753 ' HA ' HD11 ' A' ' 86' ' ' ILE . 7.8 t0 -72.27 -36.43 69.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -64.91 -45.05 87.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.584 ' CZ2' ' CE1' ' A' ' 55' ' ' TYR . 97.2 m95 -81.96 -47.46 12.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.811 HD11 HD21 ' A' ' 59' ' ' LEU . 47.3 mt -96.45 98.87 10.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.0 p -64.58 -39.26 93.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -53.3 106.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.458 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 28.2 mmtp -59.36 -26.29 64.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -82.21 -27.44 32.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.969 HD12 HG23 ' A' ' 34' ' ' THR . 17.2 mt -74.26 -33.24 63.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.753 HD11 ' HA ' ' A' ' 77' ' ' ASP . 31.5 mt -54.85 -54.64 47.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.563 0.697 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.2 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.71 2.273 . . . . 0.0 112.298 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.57 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.7 OUTLIER -60.27 -48.22 82.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.889 ' CD1' HD12 ' A' ' 93' ' ' LEU . 7.8 tp -60.63 -33.87 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CZ ' ' HE2' ' A' ' 73' ' ' MET . 8.5 m-85 -80.95 -19.18 44.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -111.11 9.91 21.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.57 HG21 ' HE3' ' A' ' 88' ' ' LYS . 39.1 t -129.19 -74.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.889 HD12 ' CD1' ' A' ' 89' ' ' LEU . 43.7 mt -69.9 -40.89 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.971 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.705 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -49.93 -57.06 13.64 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.636 0.731 . . . . 0.0 111.043 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.705 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.78 -29.74 23.31 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 0.0 112.344 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -66.84 -42.15 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.427 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 88.1 m-85 -106.58 38.85 1.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.15 -45.86 65.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 100' ' ' GLN . 19.0 t70 -86.92 -43.85 12.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 99' ' ' ASP . 4.7 mm100 -34.27 140.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 68.9 p -120.07 39.81 3.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 135.06 158.44 8.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 72.76 85.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -117.25 -42.28 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.927 0.394 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 58.9 p -105.98 159.31 16.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -129.03 138.59 52.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.466 ' HE3' ' CG1' ' A' ' 49' ' ' VAL . 2.2 ttt -108.05 128.26 54.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 37.5 tp -125.3 144.66 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -102.94 128.42 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.934 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 32.1 pt -121.13 142.31 34.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -169.0 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 15.3 p30 -73.32 156.08 38.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -131.96 -46.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -118.29 -56.32 2.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.832 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 115' ' ' LEU . 1.3 pt? -98.86 147.94 24.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 117' ' ' ARG . 4.2 p-10 -38.02 157.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 116' ' ' ASP . 2.8 ptp180 -34.13 142.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -167.96 176.23 6.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.6 ttmm -68.06 98.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -142.94 136.24 28.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.879 179.831 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.71 160.27 43.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.59 133.41 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.726 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.6 tt -118.66 138.2 50.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.62 149.04 29.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -75.93 137.57 40.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -37.34 -54.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -82.28 61.49 4.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -75.73 -51.63 12.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 74.5 m 57.4 40.18 27.62 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.4 mt -101.55 154.07 37.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.611 0.72 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 114.19 3.61 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.697 2.265 . . . . 0.0 112.365 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.99 18.6 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.6 mt -109.13 142.94 26.65 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.523 0.678 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 107.24 1.8 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.381 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 11.7 mt -81.09 140.25 49.58 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.991 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -48.79 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.9 t -80.92 47.13 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -44.67 116.72 1.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 -2.74 10.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.729 2.286 . . . . 0.0 112.278 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 141' ' ' SER . 46.4 m 62.39 45.95 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 140' ' ' SER . 89.4 p 34.45 43.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.439 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.7 t 72.33 41.93 0.58 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.362 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.2 m -61.39 132.95 55.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.07 164.35 14.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 m -163.33 -175.66 4.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.4 m -54.77 -175.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.909 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.87 33.9 2.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -71.7 -35.09 70.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.849 0.357 . . . . 0.0 110.911 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' ' HG ' ' A' ' 28' ' ' LEU . 1.4 tt -67.06 -47.09 72.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -59.85 -39.49 85.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -67.06 -36.47 82.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 32' ' ' LEU . 18.2 mt -63.95 -42.45 97.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.7 mt -66.16 -45.16 81.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.6 m -66.43 -46.63 75.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.06 -36.46 90.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 ' O ' ' N ' ' A' ' 40' ' ' GLU . 17.4 tp -60.23 -48.63 80.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.64 -40.44 86.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -56.96 -52.29 65.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.7 m-70 -101.54 10.76 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 36' ' ' LEU . 32.2 mt-10 39.43 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 39' ' ' HIS . 3.4 tmm_? -178.08 131.46 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.453 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.1 pt -146.98 159.46 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' HG2' ' HE2' ' A' ' 120' ' ' MET . 28.2 tt0 -103.84 121.05 42.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.17 158.18 34.77 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 0.0 111.11 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.1 Cg_endo -69.75 166.2 28.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.673 2.249 . . . . 0.0 112.411 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.631 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 5.8 t-105 -55.83 -41.97 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.23 91.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.069 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -76.48 -38.05 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.667 HG11 ' HE2' ' A' ' 107' ' ' MET . 39.1 t -60.66 -53.69 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -63.92 -48.05 78.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -59.26 -46.83 87.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.57 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.5 ppp? -70.84 -32.57 69.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' N ' ' HG3' ' A' ' 52' ' ' MET . 45.0 ttt180 -56.54 -43.97 80.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.12 98.48 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.461 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.557 ' CE2' ' CH2' ' A' ' 79' ' ' TRP . 40.0 m-85 -71.12 -41.82 70.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.936 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.2 99.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -62.19 -49.34 76.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.431 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 11.1 tptm -60.85 -42.74 98.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.572 HD21 HD11 ' A' ' 80' ' ' LEU . 31.0 tp -55.23 -49.3 72.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.442 HD13 HD11 ' A' ' 89' ' ' LEU . 30.6 mm -60.74 -38.45 78.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -57.24 -44.19 83.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.431 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 51.2 m-85 -71.19 -39.92 71.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.69 -37.99 93.16 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -54.83 -30.41 57.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.7 -34.02 77.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.08 171.03 20.03 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.459 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -80.34 42.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.8 t -107.93 -39.98 5.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -82.01 130.56 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -62.45 -37.37 85.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 22.0 ttm180 -58.63 -43.94 89.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.22 82.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.1 mmt -62.88 -49.85 73.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 75' ' ' MET . 7.2 ptm180 -60.89 -38.01 84.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.423 ' N ' ' HG3' ' A' ' 74' ' ' ARG . 31.8 mmm -63.85 -45.15 90.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.66 -40.92 76.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.708 ' HA ' HD11 ' A' ' 86' ' ' ILE . 20.8 t70 -71.72 -34.58 69.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -76.65 -42.92 40.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.557 ' CH2' ' CE2' ' A' ' 55' ' ' TYR . 72.6 m95 -80.72 -48.65 12.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 59' ' ' LEU . 25.5 mt -101.04 114.57 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 80.7 p -75.56 -30.34 59.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.439 ' HG3' HD12 ' A' ' 85' ' ' LEU . 3.2 mm-40 -59.56 97.51 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 86' ' ' ILE . 16.7 mmtm -56.38 -20.62 20.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.46 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 7.6 t70 -86.06 -35.94 19.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.835 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.439 HD12 ' HG3' ' A' ' 82' ' ' GLU . 28.0 mt -73.28 -25.47 60.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.708 HD11 ' HA ' ' A' ' 77' ' ' ASP . 50.8 mt -60.2 -55.25 47.22 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 0.0 111.112 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.4 Cg_endo -69.78 -41.5 4.19 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.674 2.249 . . . . 0.0 112.32 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.472 ' HG2' ' CG2' ' A' ' 92' ' ' VAL . 14.3 ttpt -60.62 -47.14 87.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.032 HD13 HD12 ' A' ' 93' ' ' LEU . 14.2 tp -57.58 -35.35 70.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.0 m-85 -79.48 -19.82 48.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -111.66 9.96 21.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.502 HG12 ' N ' ' A' ' 93' ' ' LEU . 15.9 t -128.66 -73.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.032 HD12 HD13 ' A' ' 89' ' ' LEU . 40.2 mt -72.37 -42.63 65.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.712 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -47.9 -56.84 11.86 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 111.067 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.712 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.5 Cg_endo -69.67 -41.05 4.74 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.682 2.255 . . . . 0.0 112.365 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -56.58 -44.65 81.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.549 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 36.1 m-85 -85.47 -37.87 19.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.957 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -37.9 -39.75 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -78.89 -49.16 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -53.83 169.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.965 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 101' ' ' THR . 19.1 m -111.96 42.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.155 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.419 ' HA2' ' CZ ' ' A' ' 104' ' ' TYR . . . 117.77 -157.8 14.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 49.69 87.26 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.549 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 2.3 m-85 -112.95 -46.71 3.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.886 0.375 . . . . 0.0 110.888 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 77.7 p -105.84 156.28 18.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -130.3 137.72 50.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.667 ' HE2' HG11 ' A' ' 49' ' ' VAL . 5.4 ttt -109.63 136.77 48.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.1 tp -130.35 142.85 50.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -91.74 138.97 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.563 HD13 HG23 ' A' ' 122' ' ' VAL . 29.1 pt -144.45 151.84 51.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.128 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.81 55.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.329 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . 0.559 ' H ' ' ND2' ' A' ' 112' ' ' ASN . 0.6 OUTLIER -66.71 130.62 43.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -128.05 -62.62 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.2 m -50.91 -46.69 60.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.8 tp -125.57 161.01 28.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.89 -63.29 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -107.3 99.26 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -169.6 110.88 0.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -65.04 87.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.536 ' HE2' ' HG2' ' A' ' 43' ' ' GLU . 22.2 mtp -78.31 156.56 29.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -150.15 161.11 43.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.115 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.563 HG23 HD13 ' A' ' 110' ' ' ILE . 71.9 t -122.23 137.31 56.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.57 HD13 ' SD ' ' A' ' 52' ' ' MET . 14.8 tt -126.86 132.67 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.76 146.02 26.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -72.18 152.47 42.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -74.97 80.48 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.41 -114.62 0.5 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -54.82 155.25 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.788 0.327 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 78.0 m -119.98 98.24 5.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -67.0 152.83 95.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' A' ' 132' ' ' PRO . 54.2 Cg_endo -69.68 117.12 4.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 131' ' ' PRO . 53.6 Cg_endo -69.74 131.96 22.36 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.721 2.281 . . . . 0.0 112.372 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 4.3 pp -89.63 152.4 47.0 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.726 0.774 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 118.56 5.75 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.712 2.274 . . . . 0.0 112.379 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.699 ' O ' HD12 ' A' ' 135' ' ' LEU . 3.7 pp -59.36 137.2 88.89 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -39.27 6.77 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.38 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.682 ' O ' HD13 ' A' ' 135' ' ' LEU . 8.5 t -89.54 98.02 11.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -139.41 -169.23 11.53 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.423 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.97 29.21 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.319 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 66.1 p -142.64 112.11 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.5 m -45.9 -53.78 9.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.474 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.9 m -116.01 172.76 6.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.854 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.6 m -44.39 151.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.83 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.45 104.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.547 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 12.0 t -62.17 83.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.3 m -106.06 40.66 1.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.14 61.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.5 tp -77.35 -38.56 50.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD21 ' CD2' ' A' ' 55' ' ' TYR . 15.0 tp -65.33 -48.04 74.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.49 -37.22 86.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.94 -35.73 82.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' A' ' 48' ' ' ARG . 35.5 mt -69.49 -44.57 70.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.6 mt -58.1 -44.66 87.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.954 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.8 m -64.33 -42.25 96.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.04 -36.86 81.89 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.496 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.745 ' HA ' HG23 ' A' ' 42' ' ' ILE . 8.0 tp -61.31 -46.06 91.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.862 0.363 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -66.05 -40.77 88.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.142 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -59.37 -52.28 66.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.4 m-70 -99.9 12.71 36.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 36' ' ' LEU . 45.3 mt-10 39.68 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 1.048 ' CZ ' HG11 ' A' ' 122' ' ' VAL . 64.0 ttt-85 -176.92 131.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.745 HG23 ' HA ' ' A' ' 36' ' ' LEU . 28.8 pt -144.97 159.06 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -100.97 118.79 37.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -151.47 154.26 33.25 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.542 0.686 . . . . 0.0 111.165 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.916 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.8 Cg_endo -69.68 174.3 9.63 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -62.76 -46.07 89.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.62 81.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.146 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -76.83 -34.6 57.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.839 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 45' ' ' PRO . 49.2 t -62.62 -53.27 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -63.84 -48.56 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -58.61 -46.35 87.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.409 ' HE1' HD11 ' A' ' 42' ' ' ILE . 12.4 ptm -70.46 -34.41 72.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 -56.18 -43.26 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.46 -43.36 99.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.763 ' CD2' HD21 ' A' ' 29' ' ' LEU . 54.9 m-85 -71.64 -42.38 67.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.965 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.82 -41.99 92.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -64.63 -49.06 72.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -62.07 -39.4 92.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD21 HD11 ' A' ' 80' ' ' LEU . 26.5 tp -58.12 -49.19 77.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.687 HD13 HD11 ' A' ' 89' ' ' LEU . 30.5 mm -61.12 -39.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -56.66 -45.03 81.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.52 ' CD2' ' SD ' ' A' ' 75' ' ' MET . 35.0 m-85 -66.89 -38.43 86.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.485 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.84 -35.26 86.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.409 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -53.98 -30.64 47.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 69' ' ' ASN . 27.5 mt -65.74 -32.05 73.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 108.49 178.25 21.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -82.5 38.23 0.55 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.907 0.384 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -111.71 -36.26 5.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 65' ' ' LEU . 17.3 m-80 -74.14 118.39 17.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.7 mt-10 -56.24 -47.6 78.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.0 mtp85 -57.18 -43.95 83.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.52 -38.18 86.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 20.0 mmt -71.1 -49.59 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 74' ' ' ARG . 8.7 mtp-105 -60.76 -47.12 87.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.52 ' SD ' ' CD2' ' A' ' 62' ' ' TYR . 0.1 OUTLIER -58.38 -45.48 88.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.77 -31.84 72.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.657 ' HA ' HD11 ' A' ' 86' ' ' ILE . 21.8 t0 -72.49 -33.87 67.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -73.96 -43.82 56.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.702 ' CZ3' HD23 ' A' ' 29' ' ' LEU . 89.9 m95 -80.71 -48.13 13.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.739 HD11 HD21 ' A' ' 59' ' ' LEU . 32.7 mt -102.14 103.91 14.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.418 ' O ' ' CD ' ' A' ' 83' ' ' LYS . 72.9 p -71.07 -36.01 72.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.55 111.86 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 2.0 mmmm -67.51 -14.95 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 5.3 m-20 -88.7 -34.68 17.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 33.1 mt -74.88 -31.0 61.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.657 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.6 mt -57.9 -54.29 56.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.609 0.719 . . . . 0.0 111.167 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 54.5 Cg_endo -69.65 -41.39 4.46 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.706 2.271 . . . . 0.0 112.418 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.477 ' CG ' HG21 ' A' ' 92' ' ' VAL . 13.0 tttp -62.7 -46.58 87.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.77 HD13 HD12 ' A' ' 93' ' ' LEU . 13.4 tp -55.21 -34.29 63.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.7 m-85 -81.3 -20.19 41.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.62 12.44 21.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.521 HG12 HD23 ' A' ' 93' ' ' LEU . 69.8 t -132.54 -73.5 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.77 HD12 HD13 ' A' ' 89' ' ' LEU . 23.6 mt -73.08 -42.24 63.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.14 -55.78 16.82 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.501 0.667 . . . . 0.0 111.062 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.0 Cg_endo -69.69 -26.77 27.55 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.653 2.236 . . . . 0.0 112.406 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -67.29 -46.86 72.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -102.08 38.87 1.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.55 -49.06 23.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -77.11 -47.05 21.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.965 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -45.4 159.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 101' ' ' THR . 18.8 m -131.6 38.72 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 146.28 -175.89 25.5 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 47.0 85.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.452 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -115.31 -38.71 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.026 0.441 . . . . 0.0 110.981 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 81.2 p -108.55 156.69 19.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.128 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.6 ttm-85 -119.75 139.5 52.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.771 ' HE3' HG11 ' A' ' 49' ' ' VAL . 4.6 ttt -107.01 126.1 51.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 32.3 tp -119.07 143.24 47.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -97.19 142.63 28.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.491 HD13 HG23 ' A' ' 122' ' ' VAL . 42.8 pt -146.23 151.41 44.24 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.169 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -176.84 1.62 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -64.56 124.01 20.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.71 -60.56 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -73.33 178.33 4.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 29.7 mt -81.9 44.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.68 176.58 10.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -90.94 124.67 35.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -168.26 144.54 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.73 102.17 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 88.8 mmm -110.08 155.72 21.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.582 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -149.31 157.54 43.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 1.048 HG11 ' CZ ' ' A' ' 41' ' ' ARG . 88.1 t -116.81 130.68 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.187 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.448 HG23 HD13 ' A' ' 36' ' ' LEU . 15.2 tt -117.5 135.24 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.679 ' OE1' HD12 ' A' ' 130' ' ' LEU . 6.9 pt-20 -150.75 150.19 30.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -75.6 138.76 41.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.905 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -84.32 83.75 7.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.11 -42.4 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.458 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -133.6 142.34 48.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 35.9 m -73.89 82.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.679 HD12 ' OE1' ' A' ' 124' ' ' GLU . 46.3 mt -51.24 154.32 2.93 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.642 0.734 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 117.28 4.99 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.727 2.284 . . . . 0.0 112.326 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 116.97 4.81 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.644 2.229 . . . . 0.0 112.338 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 133' ' ' LEU . 3.2 pp -86.87 150.86 51.23 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.619 0.723 . . . . 0.0 110.97 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 105.0 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.762 2.308 . . . . 0.0 112.35 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 136' ' ' PRO . 1.3 tp -72.62 -60.8 1.89 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.614 0.721 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.484 ' N ' ' HG ' ' A' ' 135' ' ' LEU . 54.0 Cg_endo -69.71 155.42 66.15 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.722 2.282 . . . . 0.0 112.319 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 7.8 t -78.82 144.16 35.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.854 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.22 -177.61 21.7 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 136.59 33.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.32 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 77.8 p -88.62 -39.06 14.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.5 m 57.17 44.8 21.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.869 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.406 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.2 t -90.43 42.22 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 78.0 p -163.48 120.15 1.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 47.49 55.89 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.537 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.5 m -139.2 161.23 37.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -48.79 122.16 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.96 95.39 0.13 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.45 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -65.01 -46.5 81.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.83 -46.96 88.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 -59.71 -40.27 87.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -67.54 -36.89 81.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.54 -41.49 98.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.16 -44.76 83.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.788 HG23 HD12 ' A' ' 85' ' ' LEU . 20.4 m -65.71 -42.65 90.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.08 -36.79 81.39 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.695 ' HA ' HG23 ' A' ' 42' ' ' ILE . 10.5 tp -62.46 -46.44 88.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 95.0 t -65.84 -40.64 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -56.0 -52.29 64.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 41' ' ' ARG . 13.6 m-70 -104.03 14.61 30.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.7 pt-20 39.71 25.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 39' ' ' HIS . 39.4 ttt-85 -176.93 131.1 0.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.6 pt -146.39 159.32 10.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.9 122.71 46.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.638 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.8 161.76 29.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.985 ' O ' HG23 ' A' ' 49' ' ' VAL . 53.6 Cg_endo -69.78 170.16 17.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.293 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -60.93 -45.93 92.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.44 79.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.045 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.446 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 17.0 mmp_? -76.48 -36.45 57.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.985 HG23 ' O ' ' A' ' 45' ' ' PRO . 89.8 t -62.29 -53.55 45.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -63.42 -49.21 74.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -58.2 -46.22 86.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 ptm -71.53 -33.14 68.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -54.85 -46.6 74.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.48 -43.9 98.71 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.557 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.579 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 38.8 m-85 -68.26 -41.18 81.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.04 99.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.166 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -61.01 -49.17 78.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.5 OUTLIER -61.32 -42.04 98.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.522 HD21 HD11 ' A' ' 80' ' ' LEU . 36.8 tp -57.31 -46.32 83.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 38.7 mm -61.51 -40.36 86.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.17 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -57.57 -43.73 84.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 41.2 m-85 -71.32 -38.94 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.44 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -59.14 -41.32 96.56 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.48 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CE ' ' O ' ' A' ' 97' ' ' TYR . 6.5 mtpm? -54.86 -30.12 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.55 -31.86 73.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.977 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.63 169.02 20.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.47 40.94 0.6 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 61.4 p -112.35 -37.01 5.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -76.29 121.83 23.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 8.9 pt-20 -54.26 -46.93 72.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.2 mtt-85 -57.02 -42.91 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.28 -44.17 88.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.13 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.84 -38.74 86.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 1.5 mmp_? -58.4 -49.88 75.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 mmm -61.62 -43.28 99.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.25 90.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.7 t70 -72.1 -37.86 69.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -73.54 -43.94 58.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.579 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 14.6 m95 -78.46 -46.54 19.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD11 HD22 ' A' ' 89' ' ' LEU . 25.4 mt -107.72 119.75 40.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.2 p -80.83 -37.21 30.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.566 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.2 OUTLIER -54.07 110.46 0.6 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 41.7 mmtt -62.35 -26.57 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.426 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 75.1 m-20 -81.87 -29.73 32.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.788 HD12 HG23 ' A' ' 34' ' ' THR . 18.7 mt -73.31 -33.22 65.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 77' ' ' ASP . 19.2 mt -54.14 -55.43 36.74 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.741 . . . . 0.0 111.073 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.581 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.73 -41.01 4.69 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.282 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' HE3' HG21 ' A' ' 92' ' ' VAL . 0.6 OUTLIER -60.89 -45.31 95.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.2 tp -61.29 -34.5 75.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.543 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.9 m-85 -79.99 -18.99 48.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -111.17 8.66 21.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.412 HG21 ' HE3' ' A' ' 88' ' ' LYS . 36.2 t -128.72 -71.98 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.827 HD12 ' CD1' ' A' ' 89' ' ' LEU . 46.0 mt -72.82 -45.65 57.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -45.17 -56.24 9.65 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 111.083 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.4 Cg_endo -69.73 -22.93 31.5 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.746 2.298 . . . . 0.0 112.321 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -73.93 -47.9 34.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 87.3 m-85 -91.34 30.81 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.889 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.84 -52.55 49.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.931 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.76 -49.71 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -68.16 130.93 44.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.4 p -134.87 47.58 2.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -166.08 -40.15 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -118.05 89.35 0.47 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.577 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 11.0 m-85 -94.72 -45.73 7.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.012 0.434 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.69 HG22 ' CE1' ' A' ' 125' ' ' TYR . 58.0 p -107.97 162.76 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -121.82 142.0 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 ttt -103.96 120.07 40.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 41.3 tp -112.19 142.4 44.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -102.13 125.81 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.0 pt -125.47 151.64 70.46 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.72 . . . . 0.0 111.179 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 173.84 10.38 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.674 2.25 . . . . 0.0 112.364 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -69.14 143.34 54.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' SER . 6.0 tpt85 -69.63 159.36 33.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 113' ' ' ARG . 25.8 m -34.26 -48.85 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.9 177.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -45.36 157.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -50.82 151.31 2.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -174.93 148.03 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -80.05 98.66 7.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.49 ' HA ' ' CE ' ' A' ' 120' ' ' MET . 0.0 OUTLIER -112.57 153.84 26.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.589 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.01 161.11 43.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 93.2 t -128.45 135.98 61.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.58 HG23 HD13 ' A' ' 36' ' ' LEU . 15.3 tt -114.73 130.02 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -127.53 145.31 50.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.69 ' CE1' HG22 ' A' ' 105' ' ' THR . 3.3 m-85 -85.11 129.94 34.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.928 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -62.74 79.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -134.74 -48.87 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.6 172.63 16.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 48.3 t -105.51 92.86 4.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.962 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 51.6 mt -49.62 156.05 1.26 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 118.78 5.89 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 156.34 63.52 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.712 2.275 . . . . 0.0 112.3 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 133' ' ' LEU . 1.2 pt? -112.54 152.3 44.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.635 0.731 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 105.13 1.43 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.865 ' C ' HD22 ' A' ' 135' ' ' LEU . 0.0 OUTLIER -57.23 148.55 51.96 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.599 0.714 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.623 ' N ' HD22 ' A' ' 135' ' ' LEU . 53.5 Cg_endo -69.68 109.07 2.21 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' PRO . 99.3 p -37.64 156.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -178.99 -149.05 8.0 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.26 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.8 m -99.24 -60.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.819 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 89.4 p 51.34 42.1 28.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.502 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.0 p -155.05 163.11 40.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.886 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.4 t -122.07 85.22 2.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.69 -96.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.2 p -75.37 137.68 41.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.878 0.37 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 80.1 p -46.42 107.67 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.38 74.6 0.4 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.7 -48.29 33.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.934 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 55' ' ' TYR . 12.6 mt -59.27 -37.49 77.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -62.58 -40.66 97.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -68.58 -33.81 74.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.1 mt -64.3 -45.94 85.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.47 -44.38 91.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.761 HG23 HD12 ' A' ' 85' ' ' LEU . 11.1 m -65.49 -46.51 79.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.182 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.12 -36.63 80.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 HD22 ' CE ' ' A' ' 52' ' ' MET . 7.7 tp -59.76 -47.69 84.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 98.6 t -66.36 -40.79 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.048 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -56.71 -52.16 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.475 ' O ' ' N ' ' A' ' 41' ' ' ARG . 14.8 m-70 -101.68 11.63 38.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 36' ' ' LEU . 10.9 mt-10 40.0 25.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HE ' HG11 ' A' ' 122' ' ' VAL . 48.2 ttt180 -176.61 131.07 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 36' ' ' LEU . 21.4 pt -147.23 159.26 9.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.78 121.88 45.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -150.67 161.1 31.26 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.551 0.691 . . . . 0.0 111.131 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.615 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.5 Cg_endo -69.65 161.87 44.22 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.655 2.236 . . . . 0.0 112.363 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.587 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 3.1 t-105 -52.22 -47.09 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.94 -40.68 76.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.04 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.485 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 81.1 mmt-85 -75.99 -32.85 59.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 121' ' ' ALA . 51.9 t -67.3 -49.25 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -63.97 -47.49 80.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -62.26 -46.89 86.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.765 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.8 ppp? -71.23 -32.85 69.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -57.8 -47.23 83.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.94 -43.26 99.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 52.1 m-85 -68.5 -41.6 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.918 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.84 98.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -62.3 -49.28 76.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.803 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG3' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -61.16 -39.96 92.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 80' ' ' LEU . 34.6 tp -57.71 -49.65 75.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 ' CD1' HD11 ' A' ' 89' ' ' LEU . 37.8 mm -59.63 -40.79 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -56.9 -42.38 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CE2' ' HG3' ' A' ' 58' ' ' LYS . 56.0 m-85 -66.49 -43.43 85.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 90' ' ' PHE . . . -60.42 -35.16 88.03 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -54.0 -30.19 46.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.857 0.36 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 26.4 mt -65.24 -30.68 71.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.9 167.74 19.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.09 41.41 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.901 0.381 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.7 t -115.76 -36.18 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -77.66 116.7 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -56.06 -38.67 70.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -57.24 -42.17 80.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.01 87.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 60.7 mmm -60.97 -49.43 77.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -62.4 -47.95 81.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.41 ' HG2' ' CD2' ' A' ' 62' ' ' TYR . 7.4 tpt -59.94 -45.13 93.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.99 -36.06 74.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.701 ' HA ' HD11 ' A' ' 86' ' ' ILE . 45.9 t0 -71.85 -37.01 70.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -67.49 -41.3 84.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.727 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 74.8 m95 -80.74 -47.76 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 59' ' ' LEU . 25.8 mt -95.48 111.76 23.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.0 p -87.15 33.97 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -128.43 106.73 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.487 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 19.7 mmtp -58.49 -18.36 28.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.424 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 20.3 t70 -89.05 -32.07 17.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.761 HD12 HG23 ' A' ' 34' ' ' THR . 19.3 mt -74.84 -30.96 61.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.701 HD11 ' HA ' ' A' ' 77' ' ' ASP . 25.6 mt -59.3 -54.15 59.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.74 -41.17 4.54 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.736 2.29 . . . . 0.0 112.341 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' VAL . 53.2 tttt -64.58 -48.14 76.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.789 ' CD1' HD12 ' A' ' 93' ' ' LEU . 12.7 tp -57.83 -34.87 70.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 3.6 m-85 -81.21 -21.06 39.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -111.88 13.95 20.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' LYS . 51.0 t -132.88 -73.27 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.789 HD12 ' CD1' ' A' ' 89' ' ' LEU . 44.8 mt -74.1 -43.26 58.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.7 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.33 -56.55 10.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.597 0.713 . . . . 0.0 111.111 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.7 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 53.5 Cg_endo -69.78 -38.7 7.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.254 . . . . 0.0 112.325 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -60.26 -36.96 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.567 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 25.8 m-85 -90.34 -38.92 13.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' TYR . 32.2 tttm -34.04 -44.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -75.61 -45.91 34.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 97' ' ' TYR . 31.4 mt-30 -59.4 145.43 43.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.457 ' O ' HG23 ' A' ' 101' ' ' THR . 13.8 t -93.78 38.66 1.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.524 ' HA2' ' CE1' ' A' ' 104' ' ' TYR . . . 126.93 -167.51 19.36 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 56.14 89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.567 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 0.5 OUTLIER -116.33 -46.59 2.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.926 0.393 . . . . 0.0 110.905 -179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.481 HG22 ' CE1' ' A' ' 125' ' ' TYR . 65.5 p -106.31 161.66 14.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.19 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -135.09 134.34 40.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.587 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 9.4 ttt -103.96 125.15 50.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 22.7 tp -114.97 141.3 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -98.24 135.31 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 21.0 pt -139.55 151.65 67.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.737 0.779 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 162.4 42.17 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.68 2.253 . . . . 0.0 112.34 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -68.2 115.58 7.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.447 ' CZ ' ' HB3' ' A' ' 113' ' ' ARG . 16.0 mtp-105 -77.64 -53.98 6.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.9 t -58.34 165.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.68 -59.93 3.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -63.4 124.73 22.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -40.38 107.72 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.88 108.79 6.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.036 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -66.79 105.76 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.3 mtp -108.54 154.22 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.621 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -140.75 160.81 39.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.044 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.504 HG11 ' HE ' ' A' ' 41' ' ' ARG . 84.0 t -122.71 131.74 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.765 HD13 ' SD ' ' A' ' 52' ' ' MET . 15.5 tt -122.0 138.83 50.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 150.26 31.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.481 ' CE1' HG22 ' A' ' 105' ' ' THR . 14.3 m-85 -79.06 126.75 31.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.919 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -79.1 46.26 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -89.71 -56.14 1.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -123.78 175.06 7.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.84 0.352 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 130' ' ' LEU . 34.1 m -92.46 86.08 5.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 129' ' ' CYS . 53.7 mt -36.41 144.91 0.25 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.637 0.732 . . . . 0.0 110.879 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 111.31 2.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 109.18 2.24 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.267 . . . . 0.0 112.331 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.52 157.28 88.57 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.27 53.41 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.726 2.284 . . . . 0.0 112.331 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.9 118.81 58.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.684 0.754 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 96.09 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.735 2.29 . . . . 0.0 112.323 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 25.9 t -129.23 82.96 2.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -135.11 -123.33 2.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 126.78 13.74 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 22.8 t 64.36 43.86 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -81.64 156.88 24.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.449 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.5 p -137.11 151.84 49.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.7 t -60.31 -58.96 6.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.55 80.9 0.17 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.545 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 62.5 m 45.63 46.09 11.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.907 0.384 . . . . 0.0 110.878 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' GLY . 7.9 t -118.8 172.96 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.802 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' SER . . . -35.51 116.37 0.25 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.519 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HB3' ' NH2' ' A' ' 48' ' ' ARG . 64.6 mt -64.81 -45.85 84.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.64 -38.91 79.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.7 mtt180 -59.78 -41.36 90.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -68.14 -37.39 81.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 HD11 ' HE ' ' A' ' 48' ' ' ARG . 14.5 mt -60.53 -46.3 90.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.461 HD12 ' CE3' ' A' ' 79' ' ' TRP . 77.6 mt -66.12 -44.02 85.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.767 HG23 HD12 ' A' ' 85' ' ' LEU . 55.8 m -63.32 -48.24 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.53 -36.69 77.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 40' ' ' GLU . 10.4 tp -59.78 -48.5 81.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.806 0.336 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.693 ' CG1' HD22 ' A' ' 85' ' ' LEU . 87.9 t -67.07 -40.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.568 ' HD3' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -55.78 -52.11 65.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.568 ' CE1' ' HD3' ' A' ' 38' ' ' ARG . 20.2 m-70 -102.89 12.29 36.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' LEU . 5.0 pt-20 39.92 25.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 39' ' ' HIS . 37.7 ttt180 -176.33 131.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.499 HD11 ' HE3' ' A' ' 52' ' ' MET . 8.4 pt -146.61 159.14 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HG3' HG22 ' A' ' 122' ' ' VAL . 0.5 OUTLIER -105.42 119.91 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.965 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.611 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.14 161.26 30.3 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.691 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.884 ' O ' HG23 ' A' ' 49' ' ' VAL . 54.6 Cg_endo -69.79 167.84 23.3 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.632 2.221 . . . . 0.0 112.343 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CD2' ' HE1' ' A' ' 107' ' ' MET . 3.4 t-105 -59.61 -43.7 93.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.76 97.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.083 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.468 ' CG ' ' HG2' ' A' ' 45' ' ' PRO . 24.9 mmm180 -76.29 -31.29 58.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 45' ' ' PRO . 74.3 t -70.21 -47.02 69.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.75 -48.17 78.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.84 -46.1 91.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.621 ' SD ' HD13 ' A' ' 123' ' ' ILE . 2.2 ppp? -70.93 -33.74 70.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.431 ' N ' ' HG3' ' A' ' 52' ' ' MET . 47.4 ttt180 -57.29 -46.78 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -62.03 -43.21 99.48 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.473 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 48.3 m-85 -68.91 -39.5 79.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.894 0.378 . . . . 0.0 110.913 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.69 -41.96 95.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -62.18 -49.09 77.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -59.32 -42.58 91.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.4 tp -57.23 -45.14 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 ' HZ2' ' A' ' 64' ' ' LYS . 36.1 mm -61.06 -42.1 91.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -57.02 -44.44 82.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.2 m-85 -66.77 -39.29 87.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.94 -36.31 89.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.578 ' HZ2' HG22 ' A' ' 60' ' ' ILE . 43.0 mttp -54.77 -30.73 57.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.69 -35.83 81.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.847 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 116.37 160.0 11.98 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.78 43.16 0.66 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.814 0.34 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.5 t -112.92 -38.21 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 61.5 m-20 -76.78 135.03 38.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -60.94 -33.75 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -66.44 -44.68 82.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.82 88.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.09 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 14.7 mmt -70.28 -49.15 52.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -63.1 -41.05 99.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -63.35 -42.75 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.39 -37.9 68.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.686 ' HA ' HD11 ' A' ' 86' ' ' ILE . 6.5 t70 -71.82 -34.81 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -69.67 -42.49 74.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.473 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 65.9 m95 -80.86 -48.23 12.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.52 HD11 HD22 ' A' ' 89' ' ' LEU . 94.4 mt -98.37 120.42 38.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.8 p -86.06 -39.42 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -55.68 103.14 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.497 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 16.6 mmtp -53.84 -14.52 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 6.3 t0 -87.86 -32.56 18.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.767 HD12 HG23 ' A' ' 34' ' ' THR . 29.9 mt -74.4 -31.48 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.686 HD11 ' HA ' ' A' ' 77' ' ' ASP . 27.4 mt -58.0 -54.62 53.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.9 Cg_endo -69.67 -41.62 4.23 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.714 2.276 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.671 ' CG ' HG21 ' A' ' 92' ' ' VAL . 27.3 tttt -63.79 -47.54 80.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 93' ' ' LEU . 13.2 tp -54.82 -34.46 62.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.6 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 5.8 m-85 -80.71 -23.56 39.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -112.11 16.74 20.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.671 HG21 ' CG ' ' A' ' 88' ' ' LYS . 23.1 t -129.64 -69.79 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 89' ' ' LEU . 42.5 mt -80.01 -40.43 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.677 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -46.31 -56.46 10.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.533 0.682 . . . . 0.0 111.06 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.677 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 52.8 Cg_endo -69.79 -31.58 20.12 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.293 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.44 -42.12 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.409 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 35.6 m-85 -110.16 41.11 1.8 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.947 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 18.6 tttm -79.17 -46.58 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -84.88 -44.95 12.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -51.84 113.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 101' ' ' THR . 7.1 m -85.39 43.27 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 141.75 156.98 6.99 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.419 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 82.33 76.46 1.1 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -112.8 -43.69 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 67.3 p -108.78 152.79 24.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -133.18 141.02 47.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.518 ' HE1' ' CD2' ' A' ' 46' ' ' TRP . 1.6 ttt -111.87 130.1 55.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.9 tp -119.48 141.37 49.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -92.63 137.97 31.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 31.7 pt -126.7 150.93 72.55 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 171.8 13.83 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -108.34 144.17 36.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.4 ttm-85 -65.95 -51.34 59.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.5 m -88.83 178.2 6.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 22.8 mt -52.74 -55.96 18.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -132.19 89.08 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 118' ' ' ALA . 8.5 tpt180 -98.51 153.19 18.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 117' ' ' ARG . . . -40.26 157.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 78.25 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 78.9 mmm -81.12 151.97 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.566 ' HB3' HG21 ' A' ' 49' ' ' VAL . . . -151.06 160.33 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.476 HG22 ' HG3' ' A' ' 43' ' ' GLU . 83.2 t -119.13 131.35 72.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.131 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.621 HD13 ' SD ' ' A' ' 52' ' ' MET . 16.9 tt -118.47 137.44 52.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -151.06 151.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 93' ' ' LEU . 15.9 m-85 -78.27 145.51 35.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -71.03 80.02 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -152.17 -92.41 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.507 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -81.1 178.92 8.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.08 111.71 12.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.457 HD11 ' HG3' ' A' ' 40' ' ' GLU . 52.8 mt -96.11 151.17 38.06 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.575 0.703 . . . . 0.0 110.931 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 137.76 35.96 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 162.94 40.15 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.686 2.257 . . . . 0.0 112.374 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -62.9 154.48 76.07 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.551 0.691 . . . . 0.0 110.953 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 139.46 40.09 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.651 2.234 . . . . 0.0 112.353 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.414 ' CD1' ' HD2' ' A' ' 136' ' ' PRO . 4.5 mm? -60.16 152.25 63.07 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.62 0.724 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.83 171.16 15.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.326 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.1 t -117.08 -50.13 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 133.87 -120.06 2.42 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.438 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 90.05 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.41 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 57.9 m -149.54 120.97 7.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 62.1 m -44.22 -49.5 9.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.452 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.6 m -133.33 111.96 11.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 25.0 p -169.93 152.89 4.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.37 71.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t 49.83 48.01 22.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.0 m -111.71 -51.99 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.938 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -166.06 49.31 0.27 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.547 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.843 HD22 ' H ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -77.38 -48.26 17.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.901 0.381 . . . . 0.0 110.951 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 55' ' ' TYR . 15.3 mt -59.02 -48.13 82.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.5 mtm105 -64.24 -42.66 96.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -66.07 -32.52 74.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.888 HD11 ' HG2' ' A' ' 48' ' ' ARG . 29.9 mt -68.98 -41.41 77.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.05 -44.89 91.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.044 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.804 HG23 HD12 ' A' ' 85' ' ' LEU . 17.5 m -66.92 -48.11 69.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.171 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.24 78.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.722 HD22 ' CE ' ' A' ' 52' ' ' MET . 11.2 tp -59.5 -48.31 82.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.901 0.382 . . . . 0.0 110.919 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.43 -40.57 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.166 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -57.96 -52.21 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' ARG . 17.2 m-70 -99.93 9.63 42.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 36' ' ' LEU . 37.4 mt-10 39.67 24.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' HIS . 72.3 ttp85 -177.48 131.74 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.713 HD12 HD22 ' A' ' 32' ' ' LEU . 10.9 pt -146.83 159.16 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -103.41 118.9 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' HB1' ' HD2' ' A' ' 45' ' ' PRO . . . -151.18 159.27 33.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 111.105 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.545 ' HD2' ' HB1' ' A' ' 44' ' ' ALA . 54.2 Cg_endo -69.8 169.91 17.86 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.233 . . . . 0.0 112.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.49 ' CE2' ' HE1' ' A' ' 107' ' ' MET . 4.1 t-105 -62.04 -33.24 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -43.44 78.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.888 ' HG2' HD11 ' A' ' 32' ' ' LEU . 8.7 tpp180 -76.69 -36.43 57.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.442 HG11 ' CE ' ' A' ' 107' ' ' MET . 7.6 t -63.31 -52.53 57.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.08 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -63.14 -48.86 76.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -58.0 -45.96 86.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.722 ' CE ' HD22 ' A' ' 36' ' ' LEU . 15.4 ptm -71.16 -33.53 70.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -55.5 -45.52 77.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.59 -43.26 99.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.46 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.721 ' CD1' ' CZ2' ' A' ' 79' ' ' TRP . 61.3 m-85 -68.89 -44.25 73.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 110.906 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' ' OH ' ' A' ' 125' ' ' TYR . . . -62.33 -41.49 98.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.09 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -60.85 -49.08 78.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -63.13 -39.12 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 80' ' ' LEU . 12.7 tp -61.19 -44.74 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.528 HD13 HD11 ' A' ' 89' ' ' LEU . 35.7 mm -61.98 -42.02 93.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.17 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -59.32 -42.76 92.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' A' ' 75' ' ' MET . 24.6 m-85 -63.59 -45.76 88.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.99 -35.56 87.58 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -54.68 -30.9 56.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.93 -34.55 78.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 109.87 176.53 21.07 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -81.15 40.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -110.27 -35.86 5.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.7 m-80 -82.4 117.96 22.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.7 tp10 -55.41 -40.76 71.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.89 -38.88 87.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.89 86.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.116 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 mmt -68.59 -49.07 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 75' ' ' MET . 1.6 ppt_? -67.45 -38.41 84.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.77 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.466 ' N ' ' HD2' ' A' ' 74' ' ' ARG . 8.5 tpt -63.0 -44.63 95.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.33 -37.25 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.051 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.758 ' HA ' HD11 ' A' ' 86' ' ' ILE . 32.6 t0 -72.11 -37.94 69.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 22.0 t80 -65.36 -43.92 89.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.721 ' CZ2' ' CD1' ' A' ' 55' ' ' TYR . 83.2 m95 -80.8 -47.5 13.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.733 HD11 HD21 ' A' ' 59' ' ' LEU . 29.7 mt -100.32 111.97 24.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 68.5 p -75.37 -35.72 61.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.184 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.456 ' HB2' HD12 ' A' ' 85' ' ' LEU . 3.4 mm-40 -53.94 108.9 0.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 87' ' ' PRO . 25.0 mmtp -62.99 -20.47 65.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' C ' ' HD2' ' A' ' 87' ' ' PRO . 4.1 p-10 -88.38 -27.93 21.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.804 HD12 HG23 ' A' ' 34' ' ' THR . 17.9 mt -75.24 -33.64 61.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.758 HD11 ' HA ' ' A' ' 77' ' ' ASP . 35.5 mt -57.8 -53.02 70.03 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.625 0.726 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.614 ' HD2' ' N ' ' A' ' 86' ' ' ILE . 53.2 Cg_endo -69.84 -41.24 4.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.743 2.295 . . . . 0.0 112.311 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 tttp -64.19 -43.46 95.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.987 HD13 HD12 ' A' ' 93' ' ' LEU . 13.3 tp -59.64 -34.82 73.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 94' ' ' ALA . 4.0 m-85 -80.05 -20.07 46.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -111.86 10.49 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.0 t -129.64 -73.93 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.987 HD12 HD13 ' A' ' 89' ' ' LEU . 31.1 mt -72.45 -41.67 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.679 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . . . -48.78 -56.15 16.5 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.569 0.7 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 94' ' ' ALA . 54.2 Cg_endo -69.79 -41.0 4.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.63 2.22 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -59.68 -38.48 81.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 104' ' ' TYR . 43.7 m-85 -88.48 -30.93 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' TYR . 0.1 OUTLIER -33.96 -49.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.907 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.06 -47.68 35.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -38.56 143.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.465 ' O ' HG23 ' A' ' 101' ' ' THR . 13.7 t -102.69 38.66 1.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 121.71 -173.05 15.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.461 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 44.8 89.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.45 ' HA ' ' CE1' ' A' ' 97' ' ' TYR . 5.6 m-85 -100.62 -42.68 6.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 0.0 110.918 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 125' ' ' TYR . 71.1 p -105.89 162.95 13.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 25.5 tpt85 -142.57 141.38 31.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.49 ' HE1' ' CE2' ' A' ' 46' ' ' TRP . 5.0 ttm -108.5 143.55 37.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.722 ' CD2' HD23 ' A' ' 133' ' ' LEU . 20.9 tp -130.35 133.07 46.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -84.99 136.78 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt -137.15 150.92 70.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.583 0.706 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 114.91 3.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -93.26 41.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp85 -110.71 44.83 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.0 t -87.77 -54.47 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.809 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -131.49 -32.49 1.52 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -148.79 166.65 27.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 117' ' ' ARG . 2.9 mpt_? -90.72 93.76 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.32 20.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 12.9 ttmm -51.15 95.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 90.5 mmm -111.74 152.24 28.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -150.98 158.27 43.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 92.5 t -114.04 123.75 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 15.7 tt -114.49 137.17 48.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -147.94 157.32 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 105' ' ' THR . 23.1 m-85 -84.66 119.4 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 125' ' ' TYR . 11.9 ptmm? 34.36 36.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 125' ' ' TYR . . . -39.42 115.14 0.49 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.472 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -134.43 -52.33 0.82 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 130' ' ' LEU . 1.8 m -79.62 -48.02 14.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.961 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 129' ' ' CYS . 37.7 mt -34.84 142.4 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.64 57.58 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.685 2.256 . . . . 0.0 112.307 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 129.86 18.3 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.627 2.218 . . . . 0.0 112.37 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.722 HD23 ' CD2' ' A' ' 108' ' ' LEU . 3.9 mm? -37.64 139.3 0.58 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.664 0.745 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 162.26 42.72 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.887 HD12 ' HD2' ' A' ' 136' ' ' PRO . 7.7 tp -109.62 125.32 31.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.709 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.887 ' HD2' HD12 ' A' ' 135' ' ' LEU . 52.9 Cg_endo -69.79 173.93 10.27 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.608 2.206 . . . . 0.0 112.325 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.4 p -150.7 159.24 44.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -93.42 -160.51 35.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -37.51 9.02 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 2.3 m -155.11 118.91 4.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 55.3 p -61.57 100.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 179.95 . . . . . . . . 0 0 . 1 stop_ save_